1 17 18 0 0 0 0 0 0 0 0 1 V2000 2.1003 -1.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6349 -2.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7606 -1.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1751 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0351 -2.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 -0.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7637 -1.3238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0971 -1.7948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1655 -0.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -0.8910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1338 -1.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5920 -2.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7686 -1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2722 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 -2.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0120 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 M END > 1 > 4-Dimethylaminoazobenzene > Solvent Yellow 2; Butter Yellow; Methyl yellow; DAB; Oil Yellow; N,N-dimethyl-4-aminoazobenzene; N,N-dimethyl-4-(phenylazo)benzenamine; Dimethylaminoazobenzene; yellow g soluble in grease; stear yello w jb; sudan gg; sudan yellow; sudan yellow gg; sudan yellow gga; toyo oil yellow g; waxoline yellow ad; waxoline yellow ads; oil yellow g; oil yellow 2g; oil yellow g-2; oil yellow gg; oil yellow gr; oil yellow n; oil yellow pel; oleal yellow 2g; organol yellow adm; orient oil yellow gg; P.D.A.B.; petrol yellow wt; resinol yellow gr; resoform yellow gga; silotras yellow t2g; somalia yellow a; benz eneazodimethylaniline; C.I. solvent yellow 2; 4-(N,N-dimethylamino)azobenzene; dimethylaminoazobenzol; 4-dimethylaminoazobenzol; 4-dimethylaminophenylazobenzene; N,N-dimethyl-p-azoaniline; N,N-dimethy l-4-(phenylazo)benzamine; atul fast yellow r; brilliant fast oil yellow; brilliant fast spirit yellow; cerasine yellow gg; C.I. 11020; dab (carcinogen); dimethyl yellow; dimethyl yellow analar; dimeth yl yellow N,N-dimethylaniline; DMAB; enial yellow 2g; fast oil yellow b; fast yellow; fat yellow; fat yellow a; fat yellow ad oo; fat yellow es; fat yellow r; fat yellow r (8186); grasal brilliant yel low; oil yellow ii; oil yellow 20; oil yellow 2625; oil yellow 7463; oil yellow bb; oil yellow d; oil yellow dn; oil yellow ff; oil yellow fn. > 60-11-7 > Toxnet > 225.3 > C14H15N3 > CN(C1=CC=C(C=C1)N=N/C2=CC=CC=C2)C > 3.31 > ND > 3 > 3 > ND > 3 > 3 > 1 > ND > ND > ND > ND $$$$ 2 17 19 0 0 0 0 0 0 0 0 1 V2000 0.5646 -3.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7314 -5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 -3.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5791 -4.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0659 -5.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 -6.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 -4.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1959 -5.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4662 -6.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3900 -5.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1077 -3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9401 -3.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6578 -2.1300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5816 -1.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0059 -1.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 M END > 2 > 4-Acetylaminofluorene > 4-AAF; 4-acetamidofluorene; N-4-fluorenylacetamide; N-9H-fluoren-4-ylacetamide; N-fluoren-4-ylacetamide. > 28322-02-3 > CPDB > 223.28 > C15H13NO > O=C(Nc3c2c1ccccc1Cc2ccc3)C > NP > ND > 1 > 3 > ND > 1 > ND > ND > ND > ND > ND > ND $$$$ 3 16 19 0 0 0 0 0 0 0 0 1 V2000 0.0000 -3.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1518 -4.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1518 -1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3036 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1518 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3036 -3.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4554 -4.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6072 -3.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3036 -2.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4554 -1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6072 -2.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7589 -1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7589 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6072 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4554 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 4 10 1 0 0 0 0 4 6 2 0 0 0 0 5 16 2 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 M END > 3 > Pyrene > Benzo[def]phenanthrene; beta-pyrene; Pyrene[def]phenanthrene. > 129-00-0 > Toxnet > 202.26 > C16H10 > c(c(c(cc1)ccc2)c2cc3)(c1ccc4)c34 > ND > NP > 1 > 3 > ND > ND > 1 > 1 > ND > ND > ND > ND $$$$ 4 5 4 0 0 0 0 0 0 0 0 1 V2000 5.6984 -60.3019 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7779 -59.4491 1.0383 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1173 -59.5706 -0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 -61.3294 0.8532 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6540 -61.3020 -1.1703 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > 4 > Chloroform > Formyl trichloride; methane trichloride; methenyl trichloride; Methyl trichloride; R 20; r 20 (refrigerant); Refrigerant R20; trichloroform; Trichloromethane. > 67-66-3 > CPDB > 119.38 > CHCl3 > ClC(Cl)Cl > 262 > 90.3 > 3 > 1 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 5 20 21 0 0 0 0 0 0 0 0 1 V2000 4.6060 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 -1.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7480 -2.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2966 -4.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -3.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2966 -1.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4513 -2.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -2.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4513 -3.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7480 -3.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 -4.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9026 -1.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9026 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0573 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2120 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2120 -1.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0573 -2.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3539 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4513 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 M END > 5 > Diethylstilbestrol > 3,4-bis(p-hydroxyphenyl)-3-hexene; 3,4-bis(4-hydroxyphenyl)hex-3-ene; DESMA; DES; Destrol; domestrol; dyestrol; (E)-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol; (E)-alpha, alpha'-diethyl-4,4'-stilbened iol; estilbin ''mco''; estril; estrogen; estromenin; estrosyn; follidiene; fonatol; grafestrol; gynopharm; hibestrol; idroestril; iscovesco; makarol; menostilbeen; micrest; microest; milestrol; neo-oe stranol 1; oekolp; oestrogenine; oestrolmensil; oestrol vetag; oestromensyl; oestromon; palestrol; protectona; rumestrol 1; rumestrol 2; sedestran; serral; sexocretin; Sibol; sintestrol; stibilium; ST IL; stilbestrol; stilbestrone; stilbetin; stilboefral; stilboestroform; stilbofolin; stilbofollin; stilbol; stilkap; stil-rol; synthoestrin; synthofolin; syntofolin; tampovagan stilboestrol; trans-4,4 '-(1,2-diethyl-1,2-ethenediyl)bisphenol; trans-alpha,alpha'-diethyl-4,4'-stilbenediol; trans-diethylstilbestrol; tylosterone; vagestrol; 4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol; 4,4'-dihydroxy-alph a,beta-diethylstilbene; 4,4'-dihydroxydiethylstilbene; alpha,alpha'-diethyl-4,4'-stilbenediol; alpha,alpha'-diethyl-(E)-4,4'-stilbenediol; alpha,alpha'-diethylstilbenediol; acnestrol; agostilben; anti gestil; diastyl; dibestrol; dibestrol '2' premix; dicorvin; di-estryl; bio-des; Bufon; climaterine; comestrol; comestrol estrobene; Cyren; cyren a; dawe's destrol. > 56-53-1 > CPDB > 268.36 > C18H20O2 > Oc2ccc(/C(=C(/c1ccc(O)cc1)CC)CC)cc2 > 0.223 > 0.0372 > 3 > 1 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 6 14 15 0 0 0 0 0 0 0 0 2 V2000 1.1526 -3.3185 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1526 -1.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4578 -1.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4578 -3.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6104 -3.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6104 -5.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4578 -5.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -5.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -3.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9898 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6104 -1.3299 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7630 -1.9886 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6104 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 2 2 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 M CHG 4 1 1 11 -1 12 1 13 -1 M END > 6 > 4-Nitroquinoline-N-Oxide > 4-Nitroquinoline 1-oxide; 4-nitroquinoline oxide; 4-NQO; nitrochin. > 56-57-5 > Toxnet > 190.16 > C9H6N2O3 > N(=O)(=O)c1ccn(=O)c2ccccc12 > ND > ND > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 7 11 12 0 0 0 0 0 0 0 0 1 V2000 0.6586 -3.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6586 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9884 -3.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 -2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9884 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9779 -1.1525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 -2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6481 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 11 1 0 0 0 0 9 11 1 0 0 0 0 10 11 2 0 0 0 0 M END > 7 > 2-Naphthylamine > 2-Aminonaphthalene; 2-Naphthalenamine; 6-naphthylamine; BNA; beta-Naphthylamine; C.I. 37270; Fast Scarlet Base B; NA. > 91-59-8 > CPDB > 143.19 > C10H9N > C12=C(C=CC(=C1)N)C=CC=C2 > 61.6 > 36.7 > 3 > 3 > ND > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 8 14 15 0 0 0 0 0 0 0 0 1 V2000 2.0007 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3296 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3303 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9888 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0007 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3303 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3184 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9895 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9776 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3191 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3191 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9895 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3072 -1.1523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 M END > 8 > Benzidine > 1,1'-Biphenyl-4,4'-Diamine; 4,4'-diamino-1,1'-biphenyl; 4,4'-Diaminobiphenyl; 4,4'-Bianiline; 4,4'-Biphenyldiamine; 4,4'-Diphenylenediamine; p-benzidine; p-Diaminodiphenyl; Bensidine; benzidine base; C.I. 37225; C.I. azoic diazo component 112; fast corinth base b. > 92-87-5 > CPDB & Toxnet > 184.24 > C12H12N2 > NC1=CC=C(C2=CC=C(N)C=C2)C=C1 > 1.73 > ND > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 9 17 19 0 0 0 0 0 0 0 0 1 V2000 0.0000 -4.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -2.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -5.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3043 -4.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3043 -3.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5705 -4.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3555 -3.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5705 -2.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4317 -1.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -2.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1022 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6722 -3.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5334 -2.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0779 -1.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3946 -0.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2929 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M END > 9 > 2-Acetylaminofluorene > 2-AAF; 2-Acetamidofluorene; 2-acetaminofluorene; 2-FAA; 2-fluorenylacetamide; AAF; Acetamidofluorene; acetoaminofluorene; FAA; Fluorenylacetamide; N-2-Fluorenyl Acetamide; N-9H-fluoren-2-yl-Acetamide; N-Acetyl-2-aminofluorene; N-Fluoren-2-yl acetamide. > 53-96-3 > CPDB > 223.28 > C15H13NO > O=C(Nc3ccc2c1ccccc1Cc2c3)C > 1.22 > 7.59 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 10 20 24 0 0 0 0 0 0 0 0 1 V2000 2.6593 -1.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -1.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9772 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6475 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6585 -4.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6585 -2.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 -2.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6593 -3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 -4.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9780 -3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6483 -3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6365 -2.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9780 -1.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6483 -1.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9772 -2.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6475 -2.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6475 -4.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9772 -4.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 8 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 3 15 1 0 0 0 0 3 4 2 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 18 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 20 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 M END > 10 > Benzo(a)pyrene > 3,4-benz[a]pyrene; 3,4-Benzopyrene; 3,4-Benzpyrene; 3,4-benzylpyrene; 3,4-BP; 6,7-Benzopyrene; B[A]P; Benzo[a]pyrene; Benzo[d,e,f]chrysene; Benzpyrene; BP. > 50-32-8 > CPDB > 252.32 > C20H12 > C1=CC2=CC=CC3=CC=C4C(=C23)C1=C5C(=C4)C=CC=C5 > 0.96 > 11 > 3 > 3 > 3 > 3 > 3 > 1 > ND > ND > ND > ND $$$$ 11 7 5 0 0 0 0 0 0 0 0 1 V2000 0.0000 -2.8863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1383 -2.2359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5505 -1.3280 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8785 -1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5505 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2090 -1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5505 -2.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 M END > 11 > Hydrazine Sulphate > Diamidogen sulfate; Diamine Sulfate; Hydrazine and hydrazine sulfate; Hydrazine dihydrogen sulfate salt; Hydrazine hydrogen sulfate; Hydrazinium(2+) sulfate; Hydrazinium sulfate; Hydrazine monosulfate ; Hydrazine sulfate (1:1). > 10034-93-2 > CPDB > 130.12 > H6N2O4S > O=S(=O)(O)O.NN > 41 > 7.59 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 12 11 10 0 0 0 0 0 0 0 0 1 V2000 0.6460 -1.7518 2.2735 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0006 -1.7761 1.8165 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3264 -0.6485 1.0366 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3192 -2.9467 1.0953 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7225 -1.7514 2.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4153 -0.0000 1.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -0.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0608 -0.6228 2.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8505 2.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6216 -3.3803 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3913 -3.5995 1.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 M END > 12 > Hexamethylphosphoramide > Hempa; Hexametapol; hexamethylphosphoric acid triamide; Hexamethylphosphoric triamide; hexamethylphosphorotriamide; HMPA; HMPT; HPT; N,N,N,N,N,N-hexamethylphosphoric triamide; Phosphoric acid hexameth yltriamide; phosphoric tris(dimethylamide); phosphoryl hexamethyltriamide; Tris(dimethylamino)phosphine oxide; tris(dimethylamino)phosphorus oxide. > 680-31-9 > Toxnet > 179.20 > C6H18N3OP > O=P(N(C)C)(N(C)C)N(C)C > ND > ND > 3 > 1 > 3 > 3 > ND > ND > ND > ND > ND > ND $$$$ 13 15 16 0 0 0 0 0 0 0 0 1 V2000 1.1524 -4.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 -2.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3048 -2.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3048 -3.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4572 -2.0009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6096 -2.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 -2.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9143 -3.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 -4.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9143 -2.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6096 -3.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4572 -0.6712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3048 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 14 15 2 0 0 0 0 M END > 13 > N-Nitrosodiphenylamine > Diphenylnitrosamine; diphenyl-N-nitrosoamine; curetard a; delac j; naugard tjb; NDPHA; Nitrosodiphenylamine; nitrous diphenylamide; N,N-diphenylnitrosamine; N-Nitroso-N-Phenylaniline; N-nitroso-N-phen ylbenzenamine; Redax; retarder j; TJB; vulcalent a; vulcatard; vulcatard a; vultrol. > 86-30-6 > NTP164 > 198.23 > C12H10N2O > O=NN(C1=CC=CC=C1)C2=CC=CC=C2 > 167 > NP > 3 > 1 > 3 > 3 > 1 > 1 > ND > ND > ND > ND $$$$ 14 6 6 0 0 0 0 0 0 0 0 1 V2000 0.7842 -2.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7842 -0.3668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -2.1122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1241 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 M END > 14 > Ethylenethiourea > 1,3-ethylene-2-thiourea; 1,3-Ethylenethiourea; Sanceller 22; sodium-22 neoprene accelerator; tetrahydro-2H-imidazole-2-thione; Vulkacit NPV/C; vulkacit npv/C2; warecure c; 2-Imidazolidimethione; 2-Imi dazolidinethione; 2-mercapto-4,5-dihydroimidazole; 2-Mercaptoimidazoline; 2-thiol-dihydroglyoxaline; 4,5-dihydro-2-mercaptoimidazole; 4,5-dihydroimidazole-2(3H)-thione; Akrochem ETU-22; Ethylene Thiou rea; Ethylene thiourea ; ETHYLENE THIOUREA (2-IMIDAZOLIDINETHIONE); ETU; imidizolidenethione; Imidazolidinethione; Imidazoline-2-thiol; Mercaptoimidazoline; Mercozen; NA-22; NA-22-D; N,N'-ethylenethio urea; pennac cra; rhodanin s 62; Robac 22. > 96-45-7 > NTP388 > 102.15 > C3H6N2S > S=C1NCCN1 > 7.9 > 23.5 > 3 > 1 > 3 > 3 > 3 > 3 > CE > CE > CE > CE $$$$ 15 6 6 0 0 0 0 0 0 0 0 1 V2000 2.2627 -2.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9363 -2.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9363 -0.9363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2627 -0.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 6 2 0 0 0 0 M END > 15 > beta-Butyrolactone > 3-Hydroxybutanoic Acid beta-Lactone; 4-Methyl-2-oxetanone; Beta-BUTYROLACETONE. > 3068-88-0 > CPDB > 86.09 > C4H6O2 > CC1CC(=O)O1 > 13.8 > ND > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 16 12 13 0 0 0 0 0 0 0 0 1 V2000 0.1420 -1.4326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4455 -1.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1037 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4330 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1041 -1.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4330 -2.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2132 -3.2910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1037 -2.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4334 -1.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1045 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4339 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 M END > 16 > Safrole > 1,2-Methylenedioxy-4-Allylbenzene; 1-allyl-3,4-methylenedioxybenzene; 3,4-methylenedioxy-allylbenzene; 3-Allyl-1,2-(methylenedioxy)benzene; m-allylpyrocatechin methylene ether; 4-Allyl-1,2-(methylened ioxy)-benzene; 4-allylcatechol methylene ether; 4-Allyl-procatecol; 4-allylpyrocatechol formaldehyde acetal; 4-allylpyrocatechol methylene ether; 5-(2-propenyl)-1,3-Benzodioxole; 5-allyl-1,3-benzodiox ole; Benzodioxole, 5-(2-propenyl)-; Rhyuno; rhyuno oil; Safrene; safrole mf; shikimole; shikomol. > 94-59-7 > CPDB > 162.19 > C10H10O2 > C=CCC1=CC=C2C(=C1)OCO2 > 441 > 51.3 > 3 > 1 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 17 5 4 0 0 0 0 0 0 0 0 1 V2000 2.3085 -0.6596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3085 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4627 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 M END > 17 > Dimethylformamide > Dimethylformamide, N,N-; DMF; DMFA; Formyldimethylamine; N-formyldimethylamine; N,N-dimethylformamide; N,N'-Dimethylformamide; N,N-Dimethylmethanamide; U-4224. > 68-12-2 > CPDB > 73.10 > C3H7NO > CN(C=O)C > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 18 20 18 0 0 1 0 0 0 0 0 1 V2000 0.0000 -1.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1509 -1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3019 -1.9949 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4528 -1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6037 -1.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7546 -1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9183 -1.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0693 -1.3300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9183 -3.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7546 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4554 -8.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6064 -7.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7573 -8.0821 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9082 -7.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0591 -8.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2101 -7.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3610 -8.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5119 -7.4171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3610 -9.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2101 -6.0871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 6 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 M END > 18 > DL-Ethionine > (+-)-ethionine; 2-amino-4-(ethylthio)butyric acid; DL-2-amino-4-(ethylthio)butyric acid; DL-ethionine; S-ethyl DL-Homocysteine. > 67-21-0 > CPDB > 163.24 > C12H26N2O4S2 > O=C(O)[C@H](N)CCSCC.O=C(O)[C@@H](N)CCSCC > 9.11 > 71.4 > 3 > 1 > 3 > ND > 3 > 3 > ND > ND > ND > ND $$$$ 19 5 5 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3216 -0.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6684 -1.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6305 -0.6684 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 M END > 19 > Epichlorohydrin > 1,2-epoxy-3-chloropropane; 1-chloro-2,3-epoxypropane; 2,3-epoxypropyl chloride; 2-(Chloromethyl)oxirane; 3-Chloro-1,2-epoxypropane; 3-Chloro-1,2-propylene oxide; 3-Chloropropene-1,2-oxide; 3-Chloropro pylene Oxide; 3-Chloropropyl epoxide; alpha-epichlorohydrin; Allyl chloride oxide; Cardolite NC-513; (Chloromethyl) Ethylene Oxide; (chloromethyl)oxirane; DL-a-epichlorohydrin; Ech; EPI; Epoxy-3-chlor opropane; Epoxypropyl chloride; Glycerol Epichlorohydrin; Glycidyl chloride; (RS)-3-Chloro-1,2-epoxypropane; skekhg; gamma-Chloropropylene oxide. > 106-89-8 > CPDB > 92.53 > C3H5ClO > ClCC1CO1 > 2.96 > NP > 3 > 3 > 3 > 3 > ND > 1 > ND > ND > ND > ND $$$$ 20 8 8 0 0 0 0 0 0 0 0 1 V2000 2.3025 -0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3025 -1.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1444 -2.6567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1444 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1444 -3.9919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 8 2 0 0 0 0 M END > 20 > N-Nitrosomorpholine > 4-nitrosomorpholine; Nitrosomorpholine; NMOR. > 59-89-2 > CPDB > 116.12 > C4H8N2O2 > O=NN1CCOCC1 > 0.109 > ND > 3 > 3 > ND > 3 > ND > ND > ND > ND > ND > ND $$$$ 21 14 14 0 0 0 0 0 0 0 0 1 V2000 9.1952 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0490 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9028 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7438 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4514 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1462 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1462 -1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4514 -1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2924 -2.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2924 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7438 -1.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0490 -1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 M END > 21 > Isopropyl N-(3-Chlorophenyl) Carbamate > O-isopropyl N-(3-chlorophenyl)carbamate; (3-chlorophenyl)carbamic acid 1-methylethyl ester; Spud-Nic; Spud-nip; Stopgerme-S; Taterpex; triherbicide cipc; Unicrop-CIPC; Beet; Beet-Kleen; Bud-Nip; Chlor ocarbanilic acid isopropyl ester; Chloro-IPC; Chloropropham; Chlorpropham ; Chlorpropham CIPC; CIPC; Elbanil; Fasco WY-HOE; Furloe; Furloe Chloro IPC 4EC; Furlow Chloro IPC 20G; Isopropyl m-chlorocarb anilate; isopropyl 3-chlorophenylcarbamate; Jack wilson chloro 51 oil; Liro cipc; Metoxon; N-3-Chlorophenylisopropylcarbamate; Nexoval; Preweed; Sprout Nip. > 101-21-3 > CPDB > 213.67 > C10H12ClNO2 > O=C(NC1=CC=CC(=C1)Cl)OC(C)C > NP > NP > 1 > ND > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 22 5 5 0 0 0 0 0 0 0 0 1 V2000 1.2799 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9515 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1046 -0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -1.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 M END > 22 > beta-Propiolactone > 1,3-Propiolactone; 2-Oxetanone; 3-hydroxypropionic acid beta-lactone; 3-hydroxypropionic acid lactone; 3-Propiolactone; beta3-Propiolactone; BPL; betaprone; beta-propionolactone; Beta-PROPIOLACTONE (2 -OXETANONE); beta-Propiolactone; Hydracrylic Acid beta Lactone; oxetan-2-one; Oxetanone; Propionolactone; Propanolide; propiolactone. > 57-57-8 > CPDB > 72.06 > C3H4O2 > O=C1CCO1 > 1.46 > 1.24 > 3 > 3 > ND > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 23 5 4 0 0 0 0 0 0 0 0 1 V2000 1.3300 -1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -1.3300 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -2.6600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > 23 > 1,1,1-Trichloroethane > 1,1,1-tce; 1,1,1-TRICHLOROETHANE (METHYL CHLOROFORM); 1,1-Trichloroethane; aerothene tt; alpha-trichloroethane; Chlorothene; Chlorothene NU; Chlorothene VG; Methyl Chloroform; Methyltrichloromethane; solvent 111; Trichloroethane, 1,1,1-; tri-ethane. > 71-55-6 > CPDB > 133.41 > C2H3Cl3 > CC(Cl)(Cl)Cl > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 24 6 5 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.9999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1518 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1518 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3037 -1.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4429 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5947 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 M END > 24 > Urethane > o-Ethyl carbamate; o-ethylurethane; a 11032; Carbamic acid ethyl ester; Ethyl carbamate; ethyl ester of carbamic acid; Ethyl urethane; leucethane; leucothane; pracarbamin; u-compound; X 41. > 51-79-6 > CPDB > 89.09 > C3H7NO2 > NC(=O)OCC > 41.3 > 16.9 > 3 > 1 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 25 6 5 0 0 0 0 0 0 0 0 1 V2000 1.1521 -0.6584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1521 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3043 -2.6588 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3043 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 M END > 25 > Dimethylcarbamoyl Chloride > (dimethylamino)carbonyl chloride; Dimethylcarbamic Acid Chloride; Dimethylcarbamic Chloride; Dimethyl carbamyl chloride; chloroformic acid dimethylamide; DMCC; N,N-Dimethylcarbamoyl chloride; N,N-Dime thylcarbamyl Chloride; TL 389. > 79-44-7 > CPDB > 107.54 > C3H6ClNO > O=C(N(C)C)Cl > ND > 5.37 > 3 > 3 > ND > ND > ND > 3 > ND > ND > ND > ND $$$$ 26 14 14 0 0 0 0 0 0 0 0 1 V2000 0.0000 -3.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 -1.6394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3095 -2.2952 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3095 -3.6353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 -4.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6353 -2.2952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9795 -1.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3053 -1.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6311 -1.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3012 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3053 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6311 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3012 -4.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > 26 > Cyclophosphamide > 1-(bis(2-chloroethyl)amino)-1-oxo-2-aza-5-oxaphosphoridine; 2-(di(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphacyclohexane 2-oxide; Enduxan; Genoxal; Mitoxan; N-bis(beta-Chloroethyl)-N'O,trimethylenephos phoric acid ester diamide; Neosar; N,N-Bis(2-chloroethyl)-N',O-propylenephosphoric acid ester diamide; N,N-Di(2-chloroethyl)-N,O-propylene-phosphoric acid ester diamide; N,N-bis(2-chloroethyl)-N'-(3-h ydroxypropyl)phosphorodiamidic acid intramol. ester; N,N-Bis(2-Chloroethyl)tetrahydro-2H-1,3,2-Oxazaphosphorin-2-Amine, 2-Oxide; N,N-bis(beta-Chloroethyl)-N',O-propylenephosphoric acid ester diamide; N,N-Bis(beta-chloroethyl)-N',O-trimethylenephosphoric acid ester diamide; Procytox; Semdoxan; Sendoxan; Senduxan; sk 20501; tatrahydro-2-(Bis(2-chloroethyl)amino)-2H-1,3,2-oxazaphosphorine 2-oxide; te trahydro-N,N-bis(2-chloroethyl)-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide; 2-(bis(2-Chloroethyl)-amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide; ASTA; Asta B 518; B 518; bis(2-Chloroethyl)phosphami de cyclic propanolamide > 50-18-0 > CPDB > 261.09 > C7H15Cl2N2O2P > ClCCN(CCCl)[P]1(=O)NCCCO1 > 2.21 > 5.96 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 27 6 6 0 0 0 0 0 0 0 0 1 V2000 1.8692 -1.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1817 -0.6899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0525 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5012 -2.0579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7714 -2.9483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 M END > 27 > 3-Aminotriazole > Triazol-3-amine; Diurol; Amino-1,2,4-triazole; Amino-s-triazole; Weedazole; weedazol super; weedazol t; Vorox; ramizol; 3,A-T; azaplant; weedar ads; weedazin; weedoclor; aminotriazol-spritzpulver; aza plant kombi; campaprim a 1544; elmasil; herbidal total; kleer-lot; orga-414; radoxone tl; weedex granulat; X-ALL; aminotriazole (plant regulator); amitril t.l.; amitrol 90; amizol d; amizol dp nau; am izol f; domatol 88; emisol 50; emisol f; fenavar; vorox aa; vorox as; weedar at; weedazin arginit; weedazol gp2; 2-amino-1,3,4-triazole; amitol; cytrole; domatol; emisol; triazolamine; 1H-1,2,4-Triazo l-3-amine; Amitrol; 3-Amino-1H-1,2,4-Triazole; Aminotriazole; 3-Amino-s-Triazole; 3-amino-1,2,4-triazole; ATA; Amizol; AT-90; Amino Triazole Weedkiller 90; Amerol; Azolan; Herbizole; AMITROL (3-AMINO- 1,2,4-TRIAZOLE). > 61-82-5 > CPDB > 84.08 > C2H4N4 > n1c(nnc1)N > 9.94 > 25.3 > 3 > 1 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 28 17 18 0 0 0 0 0 0 0 0 1 V2000 1.1503 -0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4509 -1.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 -2.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4509 -0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1503 -1.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6012 -2.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6567 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7515 -1.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7515 -0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0658 -0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0658 -1.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9155 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9155 -2.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2162 -2.6567 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2162 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 M END > 28 > 4,4'-Methylenebis(2-chloroaniline) > 2,2'Dichloro-4,4'-methylene dianiline; 3,3'-Dichloro-4,4'-diaminodiphenyl methane; 4,4'-diamino-3,3'-dichlorodiphenylmethane; 4,4-Methylene bis(2-chloroaniline); 4,4'-Methylenebis-(2-Chlorobenzenamine ); p,p'-methylenebis(alpha-chloroaniline); di(4-amino-3-chlorophenyl)methane; Bis Amine; bis-amine A; BOCA; Cl-mda; curalin M; Curene 442; Cyanaset; DACPM; MBOCA; methylene-bis-orthochloroaniline; Met hylene-bis(2-chloroaniline), 4,4'-; MOCA. > 101-14-4 > CPDB > 267.16 > C13H12Cl2N2 > ClC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)Cl)N > 19.3 > ND > 3 > 3 > 3 > 3 > ND > 3 > ND > ND > ND > ND $$$$ 29 9 8 0 0 0 0 0 0 0 0 2 V2000 1.1554 -1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3109 -1.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1554 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4663 -1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6217 -1.9934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7645 -1.3332 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7645 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9199 -1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 M CHG 2 6 1 7 -1 M END > 29 > Methylazoxymethanol Acetate > Cycasin acetate; MAM AC; mam acetate; Methylazoxymethyl acetate; (methyl-ONN-azoxy)methanol, acetate ester. > 592-62-1 > Toxnet > 132.12 > C4H8N2O3 > CC(=O)OCN=N(C)=O > ND > ND > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 30 23 24 0 0 0 0 0 0 0 0 1 V2000 3.4888 -2.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8164 -4.1485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6283 -1.6619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7194 -3.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 -2.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3216 -4.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9351 -1.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6201 -2.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9985 -4.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4716 -4.1485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 -5.6836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1545 -5.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4933 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9522 -2.6769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 -7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1545 -7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8254 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3216 -7.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -7.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -7.7007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3216 -9.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8231 -7.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 8 1 0 0 0 0 8 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 19 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 M END > 30 > Sugar > 1-alpha-D-glucopyranosyl-2-beta-D-fructofranoside; alpha-D-glucopyranosyl beta-D-fructofuranoside; (alpha-D-glucosido)-beta-D-fructofuranoside; beta-D-fructofuranose-(2-1)-alpha-D-glucopyranoside; bet a-D-fructofuranosyl-alpha-D-Glucopyranoside; Beet sugar; Cane sugar; confectioner's sugar; D(+)-Sucrose; Saccharose; saccharum; Sucrose. > 57-50-1 > CPDB > 342.30 > C12H22O11 > O[C@@H]1[C@@](O[C@@H]2O[C@H]([C@@H](O)[C@H]([C@@H]2O)O)CO)(O[C@@H]([C@H]1O)CO)CO > ND > NP > 1 > 1 > ND > ND > 1 > 1 > ND > ND > ND > ND $$$$ 31 12 12 0 0 1 0 0 0 0 0 1 V2000 4.6318 -1.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4236 -2.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -3.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -3.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -2.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7432 -2.7712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0409 -0.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2961 -1.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0409 -5.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4281 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0821 -1.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 5 8 1 1 0 0 0 8 10 1 6 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > 31 > L-Ascorbic Acid > Ascorbic Acid; Acid Ascorbic; L-(+)-Ascorbic Acid; Sunkist; Cebid; Cecon; Cevalin; Cemill; Ascorbicap; Vitamin C; L-3-ketothreohexuronic acid; Xitix; vitamisin; vitascorbol; vicelat; Vicin; vicomin c; viforcit; viscorin; vitace; vitacee; vitacimin; Hicee; hybrin; IDO-C; lemascorb; liqui-cee; Meri-c; natrascorb injectable; 3-oxo-L-gulofuranolactone (enol form); planavit c; redoxon; ribena; roscorbi c; scorbacid; scorbu-c; secorbate; testascorbic; cemagyl; ce-mi-lin; cenetone; cereon; cergona; cescorbat; cetamid; cetemican; cevatine; Cevex; cevibid; cevimin; ce-vi-sol; cevital; cevitamin; cevitan ; cevitex; Cewin; ciamin; Cipca; citriscorb; c-level; C-Long; colascor; concemin; C-Quin; C-Span; c-vimin; dora-c-500; davitamon c; duoscorb; L-threo-hex-2-enonic acid, gamma-lactone; antiscorbic vita min; antiscorbutic vitamin; cevitamic acid; 3-keto-L-gulofuranolactone; L-3-ketothreohexuronic acid lactone; laroscorbine; L-lyxoascorbic acid; 3-oxo-L-gulofuranolactone; L-xyloascorbic acid; adenex; allercorb; cantan; proscorbin; vitacin; AA; arco-cee; ascoltin; ascorb; ascorbajen; ascorbicab; ascor-b.i.d.; ascorbutina; ascorin; ascorteal; ascorvit; cantaxin; catavin c; cebicure; cebion; cee-caps td; cee-vite; cegiolan; ceglion; celaskon; ce lent; Celin. > 50-81-7 > NTP247 > 176.13 > C6H8O6 > O=C1O[C@@H](C(/O)=C1/O)[C@@H](O)CO > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 32 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0020 -2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.2598 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -3.3260 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2855 -1.9451 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 -3.9521 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1991 -1.3157 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2008 -0.0000 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 -1.2398 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 6 7 1 0 0 0 0 M END > 32 > ortho-Toluidin Hydrochloride > 1-amino-2-methylbenzene hydrochloride; 1-methyl-2-aminobenzene hydrochloride; 2-amino-1-methylbenzene hydrochloride; o-Aminotoluene Hydrochloride; 2-methyl-1-aminobenzene hydrochloride; ortho-Toluidin e hydrochloride; 2-Methylaniline hydrochloride; 2-methylbenzenamine hydrochloride; 2-tolueneamine hydrochloride; o-tolylamine hydrochloride. > 636-21-5 > NTP153 > 107.16 > C7H9N > Cc1ccccc1N > 43.6 > 840 > 3 > 1 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 33 20 21 0 0 0 0 0 0 0 0 1 V2000 5.7647 -1.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -2.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4588 -1.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6118 -3.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4588 -3.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6118 -2.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -3.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1529 -3.9910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9050 -2.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 -1.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2109 -3.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 -3.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2109 -2.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9050 -3.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3638 -3.9910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7647 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1529 -5.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3638 -5.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5168 -3.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 1 16 2 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 14 2 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 M END > 33 > Auramine > 4,4'-(Imidocarbonyl)bis(N,N-Dimethylaniline); Blauramine; Brilliant Oil yellow; Carbonoimidoylbis(N,N-dimethylbenzenamine); C.I. 41000B; C.I. Basic Yellow 2, Free Base; C.I. Solvent Yellow 34; Waxolin e yellow D; Yellow pyoctanine. > 492-80-8 > CPDB > 267.38 > C17H21N3 > N=C(c1ccc(N(C)C)cc1)c2ccc(N(C)C)cc2 > 11 > 62.7 > 3 > 3 > 3 > ND > 3 > 3 > ND > ND > ND > ND $$$$ 34 6 5 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1504 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3008 -0.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4511 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6015 -0.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7519 -1.3274 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 2 0 0 0 0 M END > 34 > Allyl Isothiocyanate > 2-propenyl isothiocyanate; 3-Isothiocyanato-1-Propene; 3-isothiocyanatopropene; AITC; AITK; allyl isorhodanide; Allyl Isosulfocyanate; Allyl isothiocyanate, inhibited; Allyl Mustard Oil; allylsenevol; allyl sevenolum; allyl thiocarbonimide; artificial mustard oil; artificial oil of mustard; carbospol; fema no. 2034; Isothiocyanato-1-propene; Mustard oil; oil of mustard; oil of mustard bpc 1949; ol eum sinapis volatile; Propenyl isothiocyanate; redskin; volatile oil of mustard. > 57-06-7 > NTP234 > 99.15 > C4H5NS > C=CCN=C=S > 96 > NP > 3 > 3 > 3 > 2 > 1 > 1 > ND > ND > ND > ND $$$$ 35 10 9 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -1.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 -1.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7570 -1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9110 -1.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0650 -1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 M END > 35 > Allyl Isovalerianate > 2-propenyl 3-methylbutanoate; 2-propenyl isovalerate; allyl 3-methylbutyrate; allyl isovalerianate; fema no. 2045; isovaleric acid, allyl ester. > 2835-39-4 > NTP253 > 142.20 > C8H14O2 > O=C(CC(C)C)OCC=C > 123 > 62.8 > 3 > 1 > 3 > 1 > 1 > 3 > ND > ND > ND > ND $$$$ 36 14 13 0 0 0 0 0 0 0 0 1 V2000 5.7623 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6949 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5373 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3798 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2222 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0774 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9198 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6175 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4599 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3024 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1448 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8397 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6949 -1.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 2 12 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 M END > 36 > 11-Aminoundecanoic Acid > 11-aminoundecyclic acid; aminoundecanoic acid; omega-aminoundecanoic acid. > 2432-99-7 > NTP216 > 201.31 > C11H23NO2 > OC(=O)CCCCCCCCCCN > 1100 > NP > 3 > 1 > 3 > 1 > 2 > 1 > ND > ND > ND > ND $$$$ 37 6 6 0 0 0 0 0 0 0 0 1 V2000 1.1522 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3045 -0.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -2.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3045 -2.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 M END > 37 > Benzene > (6)annulene; benzine; Benzol; Benzolene; bicarburet of hydrogen; carbon oil; Coal naphtha; cyclohexatriene; mineral naphtha; motor benzol; nitration benzene; Phene; Phenyl hydride; pyrobenzol. > 71-43-2 > NTP289 > 78.11 > C6H6 > C1=CC=CC=C1 > 169 > 77.5 > 3 > 1 > 3 > 3 > 3 > 3 > CE > CE > CE > CE $$$$ 38 11 11 0 0 0 0 0 0 0 0 1 V2000 0.0000 -5.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6651 -4.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 -5.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9952 -6.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9952 -4.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6651 -6.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 -3.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9952 -2.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 -1.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9952 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 -1.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 M END > 38 > Benzyl Acetate > alpha-acetoxytoluene; Acetic acid benzyl ester; ACETATO DE BENCILO; Acetic acid phenylmethyl ester; (acetoxymethyl)benzene; phenylmethyl acetate. > 140-11-4 > NTP431 > 150.18 > C9H10O2 > CC(=O)OCC1=CC=CC=C1 > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > NE > NE > NE > NE $$$$ 39 13 14 0 0 0 0 0 0 0 0 1 V2000 1.9883 -2.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6585 -2.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6585 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9883 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6595 -1.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9892 -1.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6478 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9775 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9775 -2.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6478 -2.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6487 -1.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9892 -3.4573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 M END > 39 > 2-Biphenylamine Hydrochloride > 2-aminobiphenyl hydrochloride; ntp-11205-a. > 2185-92-4 > NTP233 > 169.23 > C12H11N > C1(C2=C(C=CC=C2)N)(=CC=CC=C1) > NP > 1120 > 3 > 3 > 1 > 1 > 2 > 3 > ND > ND > ND > ND $$$$ 40 9 8 0 0 0 0 0 0 0 0 1 V2000 5.7597 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 -1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5997 -1.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4531 -1.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3066 -1.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1465 -1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9963 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3066 -3.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5997 -3.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 M END > 40 > Bis(2-Chloro-1-Methylethyl) Ether > 2,2'-oxybis[1-chloropropane]; (2-chloro-1-methylethyl) ether; beta,beta'-dichlorodiisopropyl ether; bis(1-chloro-2-propyl) ether; Bis(1-methyl-2-chloroethyl)ether; bis(beta-chloroisopropyl)ether; dich lorodiisopropyl ether; bis-chloroisopropyl ether; DCIP; nemamort; Pichloram. > 108-60-1 > CPDB & NTP239 > 171.07 > C6H12Cl2O > ClCC(OC(C)CCl)C > NP > 191 > 3 > 3 > 1 > 1 > 3 > 3 > ND > ND > ND > ND $$$$ 41 4 3 0 0 0 0 0 0 0 0 1 V2000 0.6617 -1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6617 -3.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 3 4 2 0 0 0 0 M END > 41 > 1,3-Butadiene > 1,3-butadiene, various grades; alpha-gamma-butadiene; Biethylene; bivinyl; Buta-1,3-diene; Butadiene; Butadiene, 1,3-; erythrene; Pyrrolylene; vinyl ethylene. > 106-99-0 > CPDB & NTP434 > 54.09 > C4H6 > C=CC=C > 261 > 13.9 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > CE > CE $$$$ 42 7 7 0 0 0 0 0 0 0 0 1 V2000 2.3046 -2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3046 -3.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1523 -3.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1523 -1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1523 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 M END > 42 > Chlorobenzene > Benzene chloride; chlorobenzene; Chlorobenzene Mono; Chlorobenzol; MCB; monochlorobenzene; Monochlorobenzol; Phenyl Chloride. > 108-90-7 > NTP261 > 112.56 > C6H5Cl > ClC1=CC=CC=C1 > NP > NP > 2 > 1 > 2 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 43 5 4 0 0 1 0 0 0 0 0 1 V2000 21.3367 -40.0015 -0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7964 -41.2995 1.2421 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.0795 -38.9214 0.4883 Cl 0 0 0 0 0 0 0 0 0 0 0 0 20.9665 -40.5253 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9100 -38.9653 -0.5875 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 6 0 0 0 M END > 43 > Chlorodibromomethane > Dibromochloromethane; Dibromochloromethane; CDBM. > 124-48-1 > NTP282 > 208.28 > CHBr2Cl > ClC(Br)Br > NP > 139 > 3 > 1 > 1 > 1 > 2 > 3 > NE > NE > EE > SE $$$$ 44 20 21 0 0 0 0 0 0 0 0 1 V2000 3.4581 -5.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 -3.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7634 -3.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7634 -5.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6107 -3.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6107 -5.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 -5.9788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9161 -3.3187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0688 -3.9901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2088 -3.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2088 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5142 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5142 -3.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3615 -1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3615 -3.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3615 -5.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 -5.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 -3.9901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3615 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 7 17 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M END > 44 > C.I. Disperse Yellow 3 > 4'-(2-Hydroxy-5-methylphenylazo)acetanilide; cibacete yellow gba; cibacet yellow 2gc; vonteryl yellow g; vonteryl yellow r; yellow reliton g; celliton fast yellow g; safaritone yellow g; samaron yello w pa3; serinyl hosiery yellow gd; seriplas yellow gd; serisol fast yellow gd; setacyl yellow 2gn; setacyl yellow p-2gl; setacyl yellow g; silotras yellow tsg; supracet fast yellow g; synten yellow 2g; synton yellow 2g; terasil yellow gba extra; terasil yellow 2gc; tertranese yellow n-2gl; tuladisperse fast yellow 2g; dispersol fast yellow g; dispersol printing yellow g; dispersol yellow a-g; durga cet yellow g; durosperse yellow g; eastone yellow gn; esterquinone light yellow 4jl; estone yellow gn; fenacet fast yellow g; fenacet yellow g; genacron yellow g; hispacet fast yellow g; hisperse yell ow g; interchem acetate yellow g; interchem disperse yellow gh; intraperse yellow gba; kayalon fast yellow g; kayaset yellow g; kca acetate fast yellow g; microsetile yellow gr; miketon fast yellow g; nacelan fast yellow cg; novalon yellow 2gn; nyloquinone light yellow 4jl; nyloquinone yellow 4j; ostacet yellow p2g; palacet yellow gn; palanil yellow g; pamacel yellow g-3; perliton yellow g; relito n yellow c; resiren yellow tg; 4'-((6-hydroxy-m-tolyl)azo)acetanilide; C.I. solvent yellow 77; acetamine yellow cg; acetate fast yellow g; acetoquinone light yellow; acetoquinone light yellow 4jlz; al tco sperse fast yellow gfn new; amacel yellow g; artisil direct yellow g; artisil yellow g; artisil yellow 2gn; calcosyn yellow gc; calcosyn yellow gcn; celliton discharge yellow gl; celliton fast yel low ga; celliton fast yellow ga-cf; celliton yellow g; celutate yellow gh; C.I. 3/11855; cilla fast yellow g; diacelliton fast yellow g; disperse fast yellow g; Disperse Yellow 3; Disperse Yellow G; D isperse Yellow Z; Yellow Z; Fast Yellow GD; C.I. 11855; N-[4-[(2-hydroxy-5-methylphenyl)azo]phenyl]acetamide; Disperse yellow 3,ci 11855. > 2832-40-8 > NTP222 > 269.30 > C15H15N3O2 > O=C(Nc(ccc(N=Nc(c(O)ccc1C)c1)c2)c2)C > 380 > 1020 > 3 > 3 > 3 > 1 > 1 > 3 > ND > ND > ND > ND $$$$ 45 19 21 0 0 0 0 0 0 0 0 1 V2000 5.9956 -2.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6647 -2.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6547 -1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6547 -3.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 -3.4478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 -1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9956 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9857 -1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9857 -3.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6619 -3.4478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6647 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6619 -1.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6575 -2.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0028 -4.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6619 -5.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 -4.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0028 -6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 -6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 5 10 2 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 8 13 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 M END > 45 > C.I. Solvent Yellow 14 > 1,2-naphthoquinone-1-phenylhydrazone; 1-benzeneazo-2-naphthol; 1-(phenylazo)-2-Naphthalenol; 1-Phenylazo-2-naphthol; 1-phenylazo-beta-naphthol; atul orange r; benzene-1-azo-2-naphthol; benzeneazo-beta -naphthol; dispersol yellow pp; brasilazina oil orange; brilliant oil orange r; calcogas m; calcogas orange nc; calco oil orange 7078; calco oil orange 7078-y; calco oil orange z-7078; campbelline oil orange; carminaph; ceres orange r; cerotinorange g; C.I. 12055; dunkelgelb; enial orange i; fast oil orange; fast oil orange i; fast orange; fat orange 4a; fat orange g; fat orange i; fat orange r; f at orange rs; fettorange 4a; fettorange lg; fettorange r; grasal orange; grasan orange r; hidaco oil orange; lacquer orange vg; motiorange r; stearix orange; Oil Orange; oil orange 2311; oil orange 2b ; oil orange 31; oil orange 7078-v; oil orange e; oil orange ep; oil orange g; oil orange pel; oil orange r; oil orange r-14; oil orange z-7078; oleal orange r; orange 2 insoluble; orange 3RA soluble in grease; orange a l'huile; orange insoluble olg; orange pel; orange resenole no. 3; orange r fat soluble; orange soluble a l'huile; organol orange; orient oil orange ps; petrol orange y; plastoresin orange f4a; pyronalorange; resinol orange r; resoform orange g; sansel orange g; Scarlet B; scharlach b; silotras orange tr; solvent yellow 14; somalia orange i; soudan i; spirit orange; spirit yello w i; sudan 1; Sudan I; sudan j; sudan orange r; sudan orange ra; sudan orange ra new; toyo oil orange; tertrogras orange sv; waxakol orange gl; waxoline yellow i; waxoline yellow im; waxoline yellow i p; waxoline yellow is. > 842-07-9 > NTP226 > 248.28 > C16H12N2O > OC1=CC=C2C(=C1/N=N/C3=CC=CC=C3)C=CC=C2 > 29.4 > NP > 3 > 3 > 3 > 3 > 1 > 1 > ND > ND > ND > ND $$$$ 46 16 16 0 0 0 0 0 0 0 0 2 V2000 5.3181 -2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9766 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9772 -2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3061 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3061 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9766 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3067 -2.3045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9652 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9886 -2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3175 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3175 -3.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0006 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3295 -2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0006 -3.4568 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9886 -0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 M CHG 1 15 -1 M END > 46 > Cytembena > MBBA; (E)-3-p-anisoyl-3-bromoacrylic acid sodium salt; (E)-3-bromo-4-(4-methoxyphenyl)-4-oxo-2-butenoic acid sodium salt. > 21739-91-3 > NTP207 > 307.07 > C11H8BrO4 > O=C(/C=C(/Br)C(=O)C1=CC=C(C=C1)OC)[O-].[Na+] > 277 > NP > 3 > 3 > 3 > 3 > 1 > 1 > ND > ND > ND > ND $$$$ 47 51 54 0 0 0 0 0 0 0 0 2 V2000 7.3113 -2.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9831 -2.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9691 -1.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9691 -3.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3127 -3.4659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3127 -1.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3113 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2973 -1.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2973 -3.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9845 -3.4659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9831 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9845 -1.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9677 -2.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3141 -4.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9845 -5.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9859 -4.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3141 -6.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3127 -5.7681 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3282 -5.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9859 -6.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6409 -5.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3127 -7.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3127 -4.4273 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 -5.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3282 -8.0703 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.4610 -15.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7892 -15.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7906 -16.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7906 -14.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4596 -14.4709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4596 -16.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4610 -17.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4624 -16.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4624 -14.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7878 -14.4709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7892 -17.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7878 -16.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8047 -15.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4456 -13.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7878 -12.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7738 -13.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4456 -11.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4596 -12.1687 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.4442 -12.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7738 -11.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1188 -12.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4596 -10.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4596 -13.4969 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.7724 -12.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4442 -9.8665 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0063 -8.3739 0.0000 Ba 0 2 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 8 13 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 20 2 0 0 0 0 20 25 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 27 31 2 0 0 0 0 28 32 1 0 0 0 0 28 33 1 0 0 0 0 29 34 2 0 0 0 0 30 35 2 0 0 0 0 31 36 1 0 0 0 0 31 37 1 0 0 0 0 32 36 2 0 0 0 0 33 38 2 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 41 44 1 0 0 0 0 42 45 1 0 0 0 0 43 46 2 0 0 0 0 43 47 2 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 44 45 2 0 0 0 0 45 50 1 0 0 0 0 M CHG 3 23 -1 48 -1 51 2 M END > 47 > D&C Red no. 9 > 1-(4-chloro-o-sulfo-5-tolylazo)-2-naphthol, barium salt; 1860 red; cosmetic coral red ko bluish; cosmetic dvr; cosmetic pigment yellow red dvr; C Red No. 9; dainichi lake red c; d&c red 9; desert red; duplex red lake C20-5925; eljon lake red c; hamilton red; helio red toner lcll; irgalite red cbn; irgalite red cbr; irgalite red cbt; irgalite red mbc; isol lake red lcs 12527; isol red lcr 2517; lak e red 1520; Lake Red C; lake red c 18287; lake red c 18958; lake red c 21245; lake red c 27200; lake red c 27217; lake red c 27218; Lake Red CBA; lake red c barium toner; lake red cc; lake red cct; la ke red cr; lake red crlc-232 (barium); lake red c toner 8195; lake red c toner 8366; lake red gb barium salt; lake red rrg; lake red toner c; lake red toner lcll; latexol scarlet r; ld rubber red 1691 3; lutetia red cln; lutetia red cln-st; microtex lake red cr; mohican red a-8008; no. 3 conc. bronze scarlet; no.3 conc. scarlet; paridine red lcl; pigment lake red bfc; pigment lake red cd; pigment l ake red lc; Pigment Red 53(Ba); pigment red cd; potomac red; recolite red lake c; recolite red lake cr; red 11938; red 16913H; red 1860; red for lake c; red for lake c toner ra-5190; red for lake tone r ra-5190; Red Lake C; red lake cm 20-5650; red lake cr-1; red lake c toner; red lake c toner 20-5650; red lake c toner ra-5190; red lake r-91; red scarlet; red toner z; rubber red 16913R; Rubber Red LCB; sanyo lake red c; scarlet toner y; segnale red lc; segnale red lcg; segnale red lcl; sico lake red 2l; superol red c rt-265; symuler lake red c; termosolido red lcg; texan red toner d; toner lake red c; transparent bronze scarlet; vulcafix scarlet r; vulcafix scarlet r-d masse; vulcafor red 2R; vulcan red lc; vulcol fast red l; wayne red x-2486; 5-Chloro-2-((2-Hydroxy-1-naphthyl)Azo)-4-Methyl benzenesulfonic Acid, Barium Salt; 5-chloro-2-((2-hydroxy-1-naphthyl)azo)-p-toluenesulfonic acid, barium salt; 5-Chloro-4-methyl-2-(2-hydroxynaphthylazo)benzenesulfonic acid barium salt; Barium [5-chl oro-4-methyl-2-(2-hydroxynaphthylazo)benzenesulfonate]; barium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulfonate]; Benzenesulfonic acid, 5-chloro-2-[(2-hydroxy-1-naphthyl)azo]-4-methyl-, b arium salt (2:1); bright red; Brilliant red; brilliant scarlet; brilliant toner z; bronze red 16913 yellowish; Bronze Red C; bronze red ro; bronze scarlet; bronze scarlet c; bronze scarlet ca; bronze scarlet cba; bronze scarlet ct; bronze scarlet cta; bronze scarlet toner; C.I. 15585:1; C.I. pigment red; C.I. pigment red 53:1; C.I. pigment red 53, barium salt. > 5160-02-1 > NTP225 > 888.95 > C34H24BaCl2N4O8S2 > [Ba+2].Clc3cc(c(/N=N/c2c1ccccc1ccc2O)cc3C)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(cc3/N=N/c2c1ccccc1ccc2O)C > 146 > ND > 3 > 3 > 3 > 2 > 1 > 1 > ND > ND > ND > ND $$$$ 48 6 5 0 0 0 0 0 0 0 0 1 V2000 1.1515 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3031 -0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4546 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6691 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.3031 -1.9918 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.6061 -0.6691 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 M END > 48 > 1,2-Dibromo-3-Chloropropane > 1,3-Dibromo-3-chloropropane; os 1897; oxy dbcp; sd 1897; 1-chloro-2,3-dibromopropane; 3-chloro-1,2-dibromopropane; BBC 12; Dibromo-3-chloropropane, 1,2- (DBCP); dibromochloropropane; CBCP; DBCP; fumag on; Fumazone; fumazone 86; nemabrom; Nemafume; Nemagon; nemagon 20; nemagon 206; nemagon 20g; nemagon 90; nemagon soil fumigant; Nemanax; nemapaz; Nemaset; Nematocide; nematox; nemazon. > 96-12-8 > NTP206 > 236.33 > C3H5Br2Cl > BrC(CCl)CBr > 0.259 > 2.72 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 49 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.6694 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1493 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2986 -0.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4479 -0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 M END > 49 > 1,2-dibromoethane > Kopfume; Nephis; pestmaster; pestmaster edb-85; soilbrom-100; soilbrom-40; soilbrom-85; soilbrom-90; Soilbrom 90EC; soilfume; sym-dibromoethane; unifume; Aadibroom; alpha,beta-dibromoethane; dibromoet hane; Dibromoethane, 1,2-; Dibromoethylene; Bromofume; Celmide; DBE; dowfume 40; dowfume edb; dowfume w-100; dowfume w-8; Dowfume W 85; dowfume w-90; EDB; EDB-85; E-D-Bee; Ethylene Dibromide; Ethylene Bromide; fumo-gas; Garden dowfume; Glycol Dibromide; glycol bromide; iscobrome d. > 106-93-4 > NTP210 > 187.86 > C2H4Br2 > BrCCBr > 1.52 > 7.45 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 50 10 10 0 0 0 0 0 0 0 0 1 V2000 1.1528 -3.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 -1.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 -1.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 -3.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -1.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -3.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6113 -1.3302 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3302 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -5.3207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 M END > 50 > 2,6-Dichloro-para-phenylenediamine > 1,4-diamino-2,6-dichlorobenzene; 2,5-diamino-1,3-dichlorobenzene; 2,6-dichloro-1,4-benzenediamine; 2,6-dichloro-1,4-phenylenediamine; C.I. 37020; daito brown salt rr; fast brown rr salt. > 609-20-1 > NTP219 > 177.03 > C6H6Cl2N2 > NC1=C(C=C(C=C1Cl)N)Cl > NP > 803 > 3 > 3 > 1 > 1 > 3 > 3 > ND > ND > ND > ND $$$$ 51 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.6681 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 -0.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4582 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 -1.9911 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 M END > 51 > 1,2-Dichloropropane > 1,2-DICHLOROPROPANE (PROPYLENE DICHLORIDE); alpha,beta-dichloropropane; alpha,beta-propylene dichloride; dichloropropane; Dichloropropane, 1,2-; Dichloropropanes; Propylene Dichloride; Propylene Chlor ide. > 78-87-5 > NTP263 > 112.99 > C3H6Cl2 > CC(CCl)Cl > NP > 276 > 3 > 2 > 1 > 2 > 3 > 3 > NE > EE > SE > SE $$$$ 52 26 25 0 0 0 0 0 0 0 0 1 V2000 0.0000 -5.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1463 -3.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1463 -2.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 -1.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4518 -2.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7445 -2.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7445 -3.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9037 -1.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -2.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1963 -1.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3555 -2.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5018 -1.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5018 -0.6698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6481 -2.6662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7944 -1.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9536 -2.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0999 -1.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2463 -2.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4055 -1.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5518 -2.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 -0.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1463 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9536 -3.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7944 -4.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 M END > 52 > Di-(2-Ethylhexyl) Adipate > Adipic acid bis (2-ethylhexyl) ester; adipol 2EH; sicol 250; staflex doa; truflex doa; uniflex doa; vestinol oa; wickenol 158; witamol 320; BEHA; Bis(2-ethylhexyl) adipate; Bis(2-ethylhexyl) hexanedio ate; Dioctyl Adipate; bisoflex doa; DEHA; DOA; effemoll doa; effomoll doa; ergoplast addo; flexol a 26; flexol plasticizer 10-a; flexol plasticizer a-26; Hexanedioic acid bis(2-ethylhexyl) ester; keme ster 5652; kodaflex doa; mollan s; monoplex doa; Octyl Adipate; plastomoll doa; PX-238; reomol doa; rucoflex plasticizer doa. > 103-23-1 > NTP212 > 370.57 > C22H42O4 > CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC > NP > 3880 > 3 > 1 > 1 > 1 > 3 > 3 > ND > ND > ND > ND $$$$ 53 28 28 0 0 0 0 0 0 0 0 1 V2000 2.1748 -4.6643 1.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1666 -3.4632 1.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3098 -5.3361 1.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 -2.7767 1.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3758 -1.5209 1.5381 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4101 -6.5902 1.7266 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 -4.8053 2.3656 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1527 -3.2965 0.9001 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -7.0893 2.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5634 -1.0061 1.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0412 -5.3112 1.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0245 -2.8315 1.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7351 -6.9518 1.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6948 -1.1294 2.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9951 -2.5001 2.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0190 -5.5772 0.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7601 -0.4664 1.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 -7.6017 1.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9738 -0.0000 1.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 -8.0441 2.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9742 -0.4296 2.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0216 -7.6285 1.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4281 1.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0088 -4.7283 1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9692 -5.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9431 -2.8230 3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2348 -7.8327 1.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1854 -0.2055 1.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 11 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 24 2 0 0 0 0 12 23 2 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 26 1 0 0 0 0 16 25 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 23 24 1 0 0 0 0 M END > 53 > bis(2-Ethylhexyl) Phthlate > 1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester; 2-Ethylhexyl phthalate; BEHP; Benzenedicarboxylic acid, bis(2-ethylhexyl) ester; bis (2-Etheylexyl) Phthalate; bis-(2-ethylhexyl) 1,2-benzenedicar boxylate; bis(2-Ethylhexyl) phthalate; Bis (2-Ethylhexyl) Phthalate (Dioctyl phthalate); Dioctyl Phthalate; bisoflex 81; bisoflex dop; di-sec-octyl phthalate; compound 889; DAF 68; DEHP; DOP; ergoplas t fdo; Ethyl hexyl phthalate; eviplast 80; eviplast 81; fleximel; flexol dop; flexol plasticizer dop; good-rite gp 264; hatcol dop; hercoflex 260; kodaflex dop; mollan o; nuoplaz dop; Octoil; octyl ph thalate; palatinol ah; phthalic acid dioctyl ester; pittsburgh px-138; platinol ah; platinol dop; rc plasticizer dop; reomol d 79p; reomol dop; sicol 150; staflex dop; truflex dop; Union carbide flexo l 380; vestinol ah; vinicizer 80; witcizer 312. > 117-81-7 > NTP217 > 390.56 > C24H38O4 > O=C(C1=C(C=CC=C1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC > 625 > 894 > 3 > 1 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 54 16 18 0 0 0 0 0 0 0 0 1 V2000 0.6728 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3326 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1271 -8.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0898 -3.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9383 -3.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7869 -1.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9383 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7869 -3.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0898 -1.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6355 -1.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9383 -5.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7869 -5.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7869 -7.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4597 -8.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -1.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 10 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 M END > 54 > Diglycidyl Resorcinol Ether > 1,3-Bis(2,3-epoxypropoxy)benzene; 1,3-diglycidyloxybenzene; 2,2'-[1,3-phenylenebis(oxymethylene)]bisoxirane; m-bis(2,3-epoxypropoxy)benzene; meta-bis(glycidyloxy)benzene; araldite ere 1359; diglycidyl ether of resorcinol; diglycidylresorcinol; DGRE; ere 1359; RDGE; resorcinol bis(2,3-epoxypropyl)ether; Resorcinol diglycidyl ether; resorcinyl diglycidyl ether. > 101-90-6 > NTP257 > 222.24 > C12H14O4 > C1=C(C=CC=C1OCC2CO2)OCC3CO3 > 3.78 > 24.3 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 55 7 6 0 0 0 0 0 0 0 0 1 V2000 1.1406 -1.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 -1.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 -1.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6017 -1.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7554 -1.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 M END > 55 > Ethyl Acrylate > 2-Propenoic Acid Ethyl Ester; Acrylic Acid Ethyl Ester; Ethoxycarbonylethylene; Ethyl 2-Propenoate; Ethyl Propenoate. > 140-88-5 > NTP259 > 100.12 > C5H8O2 > O=C(OCC)C=C > 119 > 324 > 3 > 1 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 56 18 18 0 0 0 0 0 0 0 0 2 V2000 5.3175 -1.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9758 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9881 -1.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3175 -3.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9758 -4.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9881 -5.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3171 -4.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3175 -5.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9881 -3.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9758 -6.9127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3171 -2.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9877 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3294 -1.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3171 -6.9127 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9877 -6.9127 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9881 -8.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3052 -6.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 M CHG 2 15 1 16 -1 M END > 56 > HC Blue no. 1 > 1-Methylamino-2-nitro-4-(bis-2-hydroxyethyl)aminobenzene; 2,2'-((4-(methylamino)-3-nitrophenyl)imino)bisethanol; HC Blue 1; N1,N1-Bis(2-hydroxyethyl)-N4-methyl-3-nitro-p-phenylenediamine; N4,N4-bis(2- hydroxyethyl)-N1-methyl-2-nitro-p-phenylenediamine; N',N'-bis(2-hydroxyethyl)-N-methyl-2-nitro-p-phenylenediamine; N,N-Bis(2-hydroxyethyl)-N'-methyl-3-nitro-p-phenylenediamine. > 2784-94-3 > NTP271 > 255.27 > C11H17N3O4 > C1(=C(C=CC(=C1)N(CCO)CCO)NC)[N+]([O-])=O > 702 > 86.3 > 3 > 3 > 2 > 3 > 3 > 3 > EE > SE > CE > CE $$$$ 57 20 22 0 0 0 0 0 0 0 0 1 V2000 5.3232 -4.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9823 -5.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3131 -5.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9848 -4.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3131 -3.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3232 -6.9075 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9848 -6.9075 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.3156 -4.6135 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 -4.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3308 -2.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9899 -1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3207 -1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 -2.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3207 -3.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9899 -3.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3308 -4.6135 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3067 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3308 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3232 -2.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9823 -3.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 20 1 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 13 19 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 19 20 1 0 0 0 0 M END > 57 > 1,2,3,7,8,9-Hexachlorodibenzo-p-dioxin > 1,2,3,7,8,9-hcdd; 1,2,3,7,8,9-Hexachlorodibenzodioxin; HEXACHLOROBENZO-para-DIOXIN (MIXTURE); Hexachlorodibenzo-p-dioxin, Mixture; Hexachlorodibenzo-p-dioxin, mixture (HxCDD); HXCDD. > 19408-74-3 > NTP202 > 390.87 > C12H2Cl6O2 > Clc(c1c3Oc2c(c(Cl)c(c(Cl)c2)Cl)O1)c(c(Cl)c3)Cl > ND > NP > 1 > ND > ND > ND > 1 > 1 > ND > ND > ND > ND $$$$ 58 9 9 0 0 0 0 0 0 0 0 1 V2000 1.1516 -0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4549 -1.9995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 -2.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4549 -0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1516 -1.9995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 -3.9864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6065 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 M END > 58 > Melamine > 1,3,5-triazine-2,4,6(1H,3H,5H)triimine; 1,3,5-Triazine-2,4,6-triamine; 2,4,6-triamino-1,3,5-triazine; 2,4,6-triamino-s-triazine; 2,4,6-triamino sym-triazine; AERO; cyanuramide; cyanuric triamide; cyan urotriamide; cyanurotriamine; Cymel; hicophor pr; isomelamine; s-triaminotriazine; Sym Triaminotriazine; teoharn; theoharn; triaminotriazine; virset 656-4. > 108-78-1 > NTP245 > 126.12 > C3H6N6 > NC1=NC(=NC(=N1)N)N > 735 > NP > 3 > 1 > 3 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 59 15 16 0 0 0 0 0 0 0 0 1 V2000 2.3044 -2.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3044 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4565 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4565 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6087 -2.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7609 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7609 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0653 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0653 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9131 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9131 -2.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2174 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 M END > 59 > 4,4'-Methylenedianiline Dihydrochloride > 4,4'-methylenebisbenzenamine dihydrochloride. > 13552-44-8 > NTP248 > 198.27 > C13H14N2 > C(C1=CC=C(C=C1)N)C2=CC=C(C=C2)N > 20 > 32.4 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 60 13 13 0 0 0 0 0 0 0 0 1 V2000 3.4609 -2.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4609 -0.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7555 -0.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7555 -2.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6145 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6145 -2.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3073 -2.6622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1536 -2.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1536 -0.6719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9091 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3073 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 11 1 0 0 0 0 4 6 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 M END > 60 > Monuron > 1,1-dimethyl-3-(p-chlorophenyl)urea; 1-(4-Chlorophenyl)-3,3-dimethylurea; 3-(para-Chlorophenyl)-1,1,dimethylurea; chlorfenidim; CMU; lirobetarex; monurex; monurox; monuruon; N'-(4-chlorophenyl)-N,N-di methylurea; N-(p-chlorophenyl)-N',N'-dimethylurea; N,N-dimethyl-N'-(4-chlorophenyl)urea; Telvar; telvar monuron weedkiller; telvar w. monuron weedkiller. > 150-68-5 > NTP266 > 198.65 > C9H11ClN2O > O=C(N(C)C)NC1=CC=C(C=C1)Cl > 131 > NP > 3 > 1 > 3 > 1 > 1 > 1 > CE > NE > NE > NE $$$$ 61 15 16 0 0 0 0 0 0 0 0 1 V2000 5.7609 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7609 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0653 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0653 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9131 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9131 -2.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4565 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4565 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3044 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3044 -2.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6087 -2.6589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2174 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 14 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 15 1 0 0 0 0 4 6 2 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 M END > 61 > 4,4'-Oxydianiline > 4,4'-diaminodiphenyl ether; 4,4'-diaminodiphenyloxide; 4,4'-diaminophenyl ether; 4,4'-diaminophenyl oxide; 4,4-dadpe; 4,4'-oxybisbenzenamine; 4,4'-oxydiphenylamine; 4-Aminophenyl ether; bis (p-Aminoph enyl) Ether; DADPE; ODA; oxybis(4-aminobenzene); oxydi-p-phenylenediamine; oxydianiline. > 101-80-4 > NTP205 > 200.24 > C12H12N2O > NC1=CC=C(C=C1)OC2=CC=C(C=C2)N > 9.51 > 33.6 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 62 7 6 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.3255 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3255 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6509 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -0.1757 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3255 -2.6669 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -2.4752 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3255 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 M END > 62 > Pentachloroethane > Ethane pentachloride; pentalin. > 76-01-7 > NTP232 > 202.29 > C2HCl5 > ClC(C(Cl)Cl)(Cl)Cl > NP > 57.3 > 3 > 1 > 2 > 1 > 3 > 3 > ND > ND > ND > ND $$$$ 63 4 4 0 0 0 0 0 0 0 0 1 V2000 1.8284 -1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1664 -0.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4903 -0.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 M END > 63 > Propylene Oxide > 1,2-Epoxypropane; 1,2-Propylene Oxide; 2,3-epoxypropane; AD 6; ad 6 (suspending agent); epoxypropane; Methyl Ethylene Oxide; methyloxirane; Propene oxide; propylene epoxide. > 75-56-9 > NTP267 > 58.08 > C3H6O > CC1CO1 > 74.4 > 912 > 3 > 3 > 3 > 3 > 3 > 3 > SE > SE > CE > CE $$$$ 64 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.6641 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1589 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 -0.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4636 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6094 -0.6641 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 M END > 64 > Telone II, Technical > 1,3-Dichloro-1-Propene; 1,3-dichloro-1-propylene; 1,3-Dichloro-2-propene; 1,3-Dichloropropene; 1,3-dichloropropene-1; 1,3-Dichloropropene, E,Z-; 1,3-Dichloropropene (mixed); 1,3-Dichloropropene (mixed isomers); 1,3-Dichloropropylene; 1,3-D; 3-Chloroallyl Chloride; 3-Chloropropenyl Chloride; alpha-Chloroallyl Chloride; alpha,gamma-Dichloropropylene; Dichloropropene, 1,3- (Telone II) ; Chloroallyl C hloride; Chloropropenyl chloride; D-D92; dorlone ii; Telone; Telone II; Telone IIR; Telone II Soil Fumigant; Tri-Form; gamma-chloroallyl chloride. > 542-75-6 > NTP269 > 110.97 > C3H4Cl2 > ClCC=CCl > 94 > 49.6 > 3 > 3 > 3 > 3 > ND > 3 > CE > SE > ND > CE $$$$ 65 18 20 0 0 0 0 0 0 0 0 1 V2000 4.5997 -2.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5997 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9059 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0590 -0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0590 -1.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9059 -2.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 -0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 -1.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3062 -2.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4593 -1.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4593 -0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3062 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6610 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2121 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2121 -2.6610 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7528 -0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7528 -1.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 2 0 0 0 0 5 16 1 0 0 0 0 6 18 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 17 18 2 0 0 0 0 M END > 65 > 2,3,7,8-Tetrachlorodibenzo-p-dioxin > 2,3,7,8-T4CDD; 2,3,7,8-tcdd; 2,3,7,8-Tetrachlorodibenzo-1,4-dioxin; 2,3,7,8-Tetrachlorodibenzo[b,e][1,4]dioxin; 2,3,7,8-tetrachlorodibenzodioxin; dibenzo-dioxin, 2,3,7,8-tetrachlorinated; Dioxin; TCDB D; TCDD; tetradioxin; Tetrachlorodibenzo-1,4-dioxin; tetrachlorodibenzodioxin. > 1746-01-6 > NTP209 > 321.97 > C12H4Cl4O2 > ClC1=CC2=C(C=C1Cl)OC3=C(C=C(C(=C3)Cl)Cl)O2 > 4.57E-05 > 1.56E-04 > 3 > 1 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 66 6 5 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.3259 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3259 -1.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 -1.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3259 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3259 -2.6518 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3278 -2.4828 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 M END > 66 > 1,1,1,2-Tetrachloroethane > Asym-tetrachloroethane; Tetrachloroethane, 1,1,1,2-. > 630-20-6 > NTP237 > 167.85 > C2H2Cl4 > ClC(CCl)(Cl)Cl > NP > 182 > 3 > 1 > 2 > 1 > 3 > 3 > ND > ND > ND > ND $$$$ 67 26 26 0 0 0 0 0 0 0 0 1 V2000 2.3088 -5.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1544 -4.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1544 -3.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3088 -2.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4632 -3.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4632 -4.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6176 -5.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6176 -2.6767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6176 -1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6176 -0.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5186 -2.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1909 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5103 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1699 -2.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5103 -3.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1909 -3.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5186 -4.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1699 -4.6049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5019 -4.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8339 -4.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1993 -2.3088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5269 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8673 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 12 13 2 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 22 23 2 0 0 0 0 24 25 2 0 0 0 0 25 26 2 0 0 0 0 M END > 67 > Toluene Diisocyanate > 2,4 + 2,6-Toluenediisocyanate; 2,4-/2,6-Toluene diisocyanate mixture; Toluene diisocyanate (unspecified isomer); Toluene diisocyantes (mixture); tolylene isocyanate; 2,4 (80%)- and 2,6 (20%)- Toluene Diisocyanate; 2,4 (80)-and 2,6 (20)-Toluene Diisocyanate; m-tolylidene diisocyanate; diisocyanatomethylbenzene; diisocyanatotoluene; desmodur t100; hylene-t; isocyanic acid, methyl-m-phenylene ester; methyl-meta-phenylene diisocyanate; methylphenylene isocyanate; mondur-td; mondur-td-80; nacconate-100; niax isocyanate tdi; rubinate tdi; rubinate tdi 80/20; T 100; TDI-80; tdi-80-20; Toluene diisocy anates; Toluene diisocyanate (mixed isomers); Toluene diisocyanate mixture; TOLUENE DIISOCYANATE, MONOMER (2,4-80%, 2,6-20%). > 26471-62-5 > NTP251 > 174.2 > C18H12N4O4 > O=C=N/c1ccc(c(/N=C=O)c1)[C@@H3].O=C=N/c1cccc(/N=C=O)c1[C@@H3] > 33.7 > 250 > 3 > 3 > 3 > 3 > 1 > 3 > ND > ND > ND > ND $$$$ 68 5 4 0 0 0 0 0 0 0 0 1 V2000 0.6707 -1.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3030 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9993 -1.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 -2.3030 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 4 5 1 0 0 0 0 M END > 68 > Trichloroethylene > 1-chloro-2,2-dichloroethylene; 1,1-dichloro-2-chloroethylene; 1,2,2-trichloroethylene; anamenth; benzinol; blacosolv; blancosolv; cecolene; chlorilen; chlorylea; chorylen; circosolv; crawhaspol; densi nfluat; dow-tri; dukeron; fleck-flip; flock flip; fluate; lanadin; lethurin; narcogen; narkogen; narkosoid; Nialk; perm-a-chlor; perm-a-clor; petzinol; philex; threthylene; Triad; Trial; triasol; trik lone; Triol; tri-plus; tri-plus m; vestrol; vitran; trieline; 1,1,2-trichloroethene; Acetylene trichloride; Ethinyl trichloride; ethylene trichloride; triciene; 1,1,2-Trichloroethylene; Tri; TCE; tric hloroethene; Westrosol; Chlorylen; Gemalgene; Germalgene; Tri-Clene; Trielene; Trilene; Trichloran; Trichloren; Algylen; Trimar; Triline; Trethylene; Trichlorathane; Trichloroethylene (TCE). > 79-01-6 > NTP243 > 131.39 > C2HCl3 > ClC(=CCl)Cl > NP > 1580 > 3 > 1 > ND > 1 > 3 > 3 > ND > ND > ND > ND $$$$ 69 29 28 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9995 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3186 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 -2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9846 -3.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3176 -3.4575 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.6506 -3.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3186 -3.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -4.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3032 -4.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6362 -4.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3027 -3.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6357 -3.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3022 -2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6352 -2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3027 -5.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6357 -5.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3176 -4.7766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1651 -5.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1651 -6.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0126 -7.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0126 -8.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8601 -9.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8601 -10.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3176 -7.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4701 -6.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3176 -2.1245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 29 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 M END > 69 > Tris(2-Ethylhexyl)phosphate > 2-ethyl-1-hexanol phosphate; 2-Ethylhexanol, phosphate triester; disflamoll tof; flexol tof; kronitex tof; Phosphoric acid, tris(2-ethylhexyl) ester; TOF; triethylhexyl phosphate; Trioctyl phosphate. > 78-42-2 > NTP274 > 434.64 > C24H51O4P > O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC > NP > 2560 > 3 > 1 > 2 > 1 > 1 > 3 > EE > NE > NE > SE $$$$ 70 9 9 0 0 0 0 0 0 0 0 1 V2000 1.3295 -1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9879 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9885 -1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3174 -2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3174 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9879 -2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3295 -3.4567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9885 -3.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 6 7 1 0 0 0 0 M END > 70 > 2,6-Xylidine > 1-amino-2,6-dimethylbenzene; 2,6-Dimethylaniline; 2-amino-1,3-dimethylbenzene; o-Xylidine; DMA; Xylylamine. > 87-62-7 > NTP278 > 121.18 > C8H11N > Nc(c(ccc1)C)c1C > ND > ND > 3 > 1 > 3 > 3 > ND > ND > CE > CE > ND > ND $$$$ 71 23 24 0 0 0 0 0 0 0 0 1 V2000 1.1543 -3.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1543 -4.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3087 -5.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 -4.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 -3.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3087 -2.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0402 -2.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3745 -1.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6700 -1.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7089 -2.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2860 -3.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0402 -6.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 -7.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3745 -7.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6700 -7.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7089 -6.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2860 -4.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5815 -5.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0013 -1.6289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 -1.6289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3087 -1.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3745 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 22 1 0 0 0 0 7 21 1 0 0 0 0 7 19 2 0 0 0 0 8 21 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 M END > 71 > Zearalenone > (10S)-zearalenone; 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)dione; (-)-(3S,11E)-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1, 7(8H)-dione; 6-(10-hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid lactone; 6-(10-hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid N-lactone; benzoxacyclotetradecin-1,7(8H)-dione; Compound F-2; (E)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-7-oxo-1H-2-benzoxacyclotetradecin-1-one; f-2 toxin; fermentation estrogenic substance; FES; fusarium toxin; mycotoxin f2; ntoxin f2; (S)-(- )-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione; [S-(E)]-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione; (S)-Zear alenone; trans-14,16-dihydroxy-3-methyl-7-oxobenzoxacyclotetradec-11-en-1-one; trans-6-(10-hydroxy-6-oxo-1-undecenyl)resorcylic acid mu-lactone; trans-zearalenone; (-)-zearalenone. > 17924-92-4 > NTP235 > 318.37 > C18H22O5 > OC1=CC(=CC2=C1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O > NP > 39 > 3 > 1 > 1 > 1 > 3 > 3 > ND > ND > ND > ND $$$$ 72 23 24 0 0 0 0 0 0 0 0 1 V2000 3.9845 -2.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6521 -2.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9922 -1.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6598 -1.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6443 -3.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9845 -4.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9689 -2.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6415 -3.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6492 -4.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9767 -3.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9689 -4.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6492 -2.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9767 -5.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6492 -6.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6443 -5.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9767 -8.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6492 -9.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9689 -9.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9689 -11.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6492 -11.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6415 -10.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9767 -10.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 M END > 72 > Butyl Benzyl Phthalate > 1,2-Benzenedicarboxylic acid butyl phenylmethyl ester; BBP; Benzyl butyl phthalate; benzyl n-butyl phthalate; butyl phenylmethyl 1,2-benzenedicarboxylate; n-Butyl Benzyl Phthalate; palatinol bb; santi cizer 160; sicol 160; unimoll bb. > 85-68-7 > NTP458 & CPDB > 312.36 > C19H20O4 > C1(=C(C=CC=C1)C(OCCCC)=O)C(OCC2=CC=CC=C2)=O > ND > NP > 3 > 1 > 3 > 2 > 1 > 1 > SE > EE > ND > ND $$$$ 73 18 18 0 0 0 0 0 0 0 0 1 V2000 6.9164 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0628 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9164 -2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7573 -1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0628 -1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7573 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6109 -2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9164 -3.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6109 -3.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7573 -4.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4646 -1.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0628 -4.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0628 -5.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2219 -6.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 -2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1591 -1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2219 -7.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 M END > 73 > Diallyl Phthalate > 1,2-Benzenedicarboxylic acid, di-2-propenyl ester; o-phthalic acid diallyl ester; Allyl Phthalate; diallylester phthalic acid; DAP; dapon 35; dapon r. > 131-17-9 > NTP284 & NTP242 > 246.26 > C14H14O4 > O=C(C1=C(C=CC=C1)C(=O)OCC=C)OCC=C > NP > NP > 2 > 1 > 1 > 2 > 2 > 2 > NE > EE > EE > EE $$$$ 74 12 12 0 0 0 0 0 0 0 0 1 V2000 3.9887 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6598 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6591 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0007 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9887 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6591 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0007 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6598 -4.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6711 -2.3046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9887 -5.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6598 -6.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 M END > 74 > Eugenol > 1,3,4-eugenol; 1-Allyl-3-methoxy-4-hydroxybenzene; 1-allyl-4-hydroxy-3-methoxybenzene; 1-hydroxy-2-methoxy-4-allylbenzene; 1-hydroxy-2-methoxy-4-prop-2-enylbenzene; 1-hydroxy-2-methoxy-4-propenylbenze ne; 1-hydroxy-4-allyl-2-methoxybenzene; 2-methoxy-1-hydroxy-4-allylbenzene; 2-methoxy-4-(2-propen-1-yl)phenol; 2-Methoxy-4-(2-propenyl)phenol; 2-Methoxy-4-allylphenol; 2-methoxy-4-prop-2-enylphenol; 4 -allyl-1-hydroxy-2-methoxybenzene; 4-Allyl-2-methoxyphenol; 4-allylcatechol-2-methyl ether; 4-Allylguaiacol; p-eugenol; 4-hydroxy-3-methoxyallylbenzene; 5-allylguaiacol; Allylguaiacol; Caryophyllic ac id; Eugenic acid; Eugenol Special; FA 100; fema no. 2467. > 97-53-0 > NTP223 > 164.20 > C10H12O2 > OC1=C(C=C(C=C1)CC=C)OC > NP > NP > 2 > 1 > 1 > 1 > 2 > 2 > ND > ND > ND > ND $$$$ 75 16 17 0 0 0 0 0 0 0 0 1 V2000 0.6617 -3.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6617 -1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -3.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9959 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6577 -3.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6577 -1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9811 -1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6429 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6408 -1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6429 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9959 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 M END > 75 > Benzoin > 2-Hydroxy-1,2-diphenylethanone; 2-hydroxy-2-phenylacetophenone; Alpha-hydroxy-a-phenylacetophenone; Alpha-hydroxybenzyl phenyl ketone; benzoylphenylcarbinol; bitter almond oil camphor; hydroxy-2-pheny l acetophenone; wy 42956. > 119-53-9 > NTP204 > 212.25 > C14H12O2 > C1=CC=CC(=C1)C(C(C2=CC=CC=C2)=O)O > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 76 17 18 0 0 0 0 0 0 0 0 1 V2000 1.9818 -0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3117 -0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3117 -2.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9818 -2.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9766 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3299 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3065 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3065 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3065 -2.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6364 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3013 -0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2962 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6312 -2.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6312 -0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3013 -2.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6261 -1.3299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 M END > 76 > Bisphenol A > 2,2-Bis(4-Hydroxyphenyl)propane; 2,2-Bis(4'-hydroxyphenyl)propane; 2,2-di(4-phenylol)propane; 4,4'-dihydroxy-2,2-diphenylpropane; p,p'-dihydroxydiphenyldimethylmethane; 4,4'-dihydroxydiphenylpropane; 4,4'-dimethylmethylenediphenol; 4,4'-bisphenol a; 4,4[-Isopropylidenediphenol; p,p'-isopropylidenebisphenol; 4,4'-ISOPROPYLIDENEDIPHENOL (BISPHENOL A); beta,beta-di-(p-hydroxyphenyl)propane; bis(4-hyd roxyphenyl) dimethylmethane; bis(4-hydroxyphenyl)propane; DIAN; dimethyl bis(p-hydroxyphenyl)methane; dimethylmethylene-p,p'-diphenol; Phenol, 4,4'-(1-methylethylidene)bis-. > 80-05-7 > NTP215 > 228.29 > C15H16O2 > CC(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)C > NP > NP > 2 > 1 > 2 > 2 > 2 > 1 > ND > ND > ND > ND $$$$ 77 13 12 0 0 0 0 0 0 0 0 2 V2000 1.1542 -1.1542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8118 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 -1.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4832 -2.3084 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4492 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6034 -1.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7442 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8984 -1.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0526 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1934 -1.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6034 -3.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 -3.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 M CHG 1 5 -1 M END > 77 > Sodium 2-Ethylhexyl Sulfate > 08-union carbide; emcol d 5-10; emersal 6465; nia proof 08; pentrone on; propaste 6708; sipex bos; 2-ethyl-1-hexanol hydrogen sulfate sodium salt; 2-ethyl-1-hexanol sulfate sodium salt; Sodium (2-Ethy lhexyl)Alcohol Sulfate; Sodium etasulfate; sodium ethasulfate; mono(2-ethylhexyl)sulfate sodium salt; Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt; sole tege ts-25; sulfirol 8; tergemist; terg imist; tergitol 08; tergitol anionic 08. > 126-92-1 > Toxnet > 232.27 > C8H17O4S > CCCCC(CC)COS(O[Na])(=O)=O > NP > ND > 3 > 1 > 1 > 1 > 1 > 3 > ND > ND > ND > ND $$$$ 78 8 8 0 0 0 0 0 0 0 0 1 V2000 0.4009 -2.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7501 -0.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6294 -2.9614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7933 -2.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9873 -0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8796 -3.0390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 M END > 78 > Caprolactam > 1,6-hexolactam; 2-azacycloheptanone; 2H-azepin-7-one,hexahydro; 2-ketohexamethylenimine; 2-oxohexamethylenimine; 2-perhydroazepinone; 6-aminohexanoic acid cyclic lactam; 6-aminocaproic acid lactam; 6- amino-hexanoic acid lactam; 6-hexanelactam; 6-caprolactam; aminocaproic lactam; cyclohexanone iso-oxime; E-caprolactum; epsilon-Caprolactam; Hexahydro-2-azepinone; hexahydro-2H-Azepin-2-one; hexannic acid; hexanolactam; hexanone isoxime; Perhydroazepin-2-one; Ú-Caprolactam; omega-caprolactum. > 105-60-2 > NTP214 > 113.16 > C6H11NO > O=C1CCCCCN1 > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 79 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.6694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1493 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2986 -0.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4479 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 M END > 79 > 2-Chloroethanol > 2-Chloro-1-ethanol; 2-monochloroethanol; beta-chloroethyl alcohol; Chloroethanol; delta-chloroethanol; ethylene chlorohydrin; ethylene glycol, chlorohydrin; Glycol chlorohydrin; glycol monochlorohydri n; glycomonochlorohydrin. > 107-07-3 > NTP275 > 80.51 > C2H5ClO > OCCCl > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > NE > NE > NE > NE $$$$ 80 27 29 0 0 0 0 0 0 0 0 2 V2000 5.7652 -2.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7652 -3.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9055 -4.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9055 -5.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7652 -6.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7652 -7.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6121 -8.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4591 -7.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4591 -6.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6121 -5.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6121 -4.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4591 -3.9913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4591 -2.6609 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3061 -1.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -2.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3061 -0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3061 -5.9806 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9649 -4.8275 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1530 -5.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6345 -7.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6121 -9.9719 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 -9.9719 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6121 -11.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9426 -9.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 11 2 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 20 23 2 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 2 0 0 0 0 M CHG 2 21 -1 25 -1 M END > 80 > C.I. Acid Orange 10 > 1370 orange; 1-phenylazo-2-naphthol-6,8-disulfonic acid, disodium salt; C.I. 27; C.I. acid orange 10, disodium salt; C.I. food orange 4; colacid orange g; crystal orange 2g; d & c orange no. 3; eniaci d light orange g; erio fast orange as; fast light orange ga; fast light orange ga-cf; fast orange g; hexacol orange gg; hidacid fast orange 2g; hidacid fast orange g; hispacid fast orange 2g; Ink Oran ge JSN; intracid fast orange g; java orange 2g; kiton fast orange g; naphthalene fast orange 2g; naphthalene fast orange 2gs; naphthalene orange solide gg; neklacid fast light orange gg; neklacid fast orange 2g; orange 2g; orange bpc; orange G; orange g bpc; orange gg; Orange G, high purity biological stain; orange gmp; orange #10; schultz no. 39; solar light orange gx; standacol orange g; straigh t orange g; sulfacid light orange j; tertracid light orange g; unitertracid light orange g; vendacid light orange 2g; Wood Orange 2G; wool orange 2g; wool orange g; xylene fast orange g; 2-Hydroxy-1-p henylazo-6,8-naphthalenedisulfonic acid, disodium salt; 7-hydroxy-8-(phenylazo)-1,3-Naphthalenedisulfonic acid, disodium salt; acidal fast orange; acid fast orange egg; acid fast orange g; acid leathe r orange kg; acid leather orange pgw; acid light orange g; acid light orange j; acid light orange ja export; acid light orange sx; Acid orange 10; acid orange 2g; acid orange g; acid orange gg; acilan orange gx; apocid orange 2g; atul acid crystal orange g; brasilan orange 2g; bucacid fast orange g; calcocid fast light orange 2g; certicol orange gs; cetil light orange gg; C.I. 16230. > 1936-15-8 > NTP211 > 452.37 > C16H10N2O7S2 > Oc2ccc1cc(cc(c1c2N=Nc3ccccc3)S([O-].[Na+].)(=O)=O)S([O-])(=O)=O.[Na+] > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 81 14 13 0 0 0 0 0 0 0 0 1 V2000 6.9142 -1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0595 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2190 -1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3643 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1594 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1594 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 -1.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6095 -1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7548 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7548 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3643 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5237 -1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 M END > 81 > Geranyl Acetate > 3,7-dimethyl-2-trans,6-octadienyl acetate; 3,7-Dimethyl-trans-2,6-octadien-1-yl acetate; acetic acid, geraniol ester; (E)-3,7-dimethyl-2,6-octadien-1-ol acetate; (E)-3,7-dimethyl-2,6-octadien-1-yl ace tate; geranoil acetate; trans-2,6-dimethyl-2,6-octadien-8-yl ethanoate; trans-3,7-dimethyl-2,6-octadien-1-ol acetate; trans-3,7-dimethyl-2,6-octadien-1-yl acetate. > 105-87-3 > NTP252 > 196.29 > C12H20O2 > O=C(OCC=C(CCC=C(C)C)C)C > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 82 31 34 0 0 0 0 0 0 0 0 2 V2000 4.6522 -2.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9931 -3.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 -3.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9931 -1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9861 -1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6355 -1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9763 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6453 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9763 -2.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6453 -2.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6453 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9763 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9861 -3.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6355 -3.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6551 -1.3310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 -2.4846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9665 -1.3310 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9665 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9665 -2.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2975 -1.3310 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6620 -1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 -2.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 -2.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6522 -0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 -4.7917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8493 -4.1198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1437 -5.4508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -5.9325 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 3 22 2 0 0 0 0 3 28 1 0 0 0 0 4 21 2 0 0 0 0 4 27 1 0 0 0 0 5 10 2 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 6 17 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 M CHG 2 20 -1 31 -1 M END > 82 > C.I. Acid Red 14 > 11959 red; 2-(4-sulfo-1-naphthylazo)-1-naphthol-4-sulfonic acid, disodium salt; 4-hydroxy-3,4'-azodi-1-naphthalenesulfonic acid, disodium salt; 4-hydroxy-3-[(4-sulfo-1-naphthyl)azo]-1-Naphthalenesulfo nic acid, disodium salt; acetacid red b; acid brilliant rubine 2g; acid brilliant rubine 2gt; acid brilliant rubine a2g; acid chrome blue 2R; acid chrome blue ba; acid chrome blue ba-cf; acid chrome b lue fbs; acid fast red fb; acid red 14; acid red 2c; acid rubine; amacid carmoisine b; amacid chrome blue r; atul acid crystal red; atul crystal red f; azorubin; azo rubine af; azo rubin extra; azo ru bine extra lc; azo rubine lz; azo rubine s; azo rubine xx; diadem chrome blue g; diadem chrome blue r; disodium 2-(4-sulfo-1-naphthylazo)-1-naphthol-4-sulfonate; disodium salt of 2-(4-sulfo-1-naphthyl azo)-1-naphthol-4-sulfonic acid; brasilan azo rubine 2ns; brilliant acid rubine m; brilliant carmoisine; brilliant crimson 2R.FQ; brilliant crimson red; bucacid azo rubine; calcocid rubine xx; Carmois ine; carmoisine aluminum lake; carmoisine ba; carmoisine ba-cf; carmoisine bss; carmoisine fu; carmoisine grn; carmoisine las; carmoisine s; carmoisine supra; carmoisine w; carmoisine ws; certicol car moisine s; chrome fast blue 2R; chromotrope fb; C.I. 14720; C.I. acid red 14, disodium salt; C.I. food red 3; cilefa rubine r; crimson 2EMBL; crimson embl; E122; edicol supra carmoisine w; edicol supr a carmoisine ws; eniacid brilliant rubine 3b; erio rubine b; eurocert azorubine; ext. d & c red no. 10; extract d and c red no. 10; fenazo red c; food red 5; fruit red a extra yellowish geigy; hd carm oisine; hd carmoisine supra; hexacol carmoisine; hidacid azo rubine; hispacid rubine f; java rubine n; karmesin; kenachrome blue 2R; kiton crimson 2R; kiton rubine r; lighthouse chrome blue 2R; L. Red Z 304C; nacarat; neklacid azorubine w; neklacid rubine w; nylomine acid red p4b; poloxal red 2b; pontacyl rubine r; red #14; solar rubine; solochrome blue fb; standacol carmoisine; tertracid red ca; tertrochrome blue fb; omega chrome blue fb. > 3567-69-9 > NTP220 > 502.43 > C20H12N2O7S2 > Oc3c(N=Nc1ccc(c2ccccc12)S([O-].[Na+].)(=O)=O)cc(c4ccccc34)S([O-].[Na+].)(=O)=O > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 83 8 8 0 0 0 0 0 0 0 0 1 V2000 2.3044 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4565 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3044 -2.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4565 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6589 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 6 7 1 0 0 0 0 M END > 83 > 1,2-Dichlorobenzene > o,p-Dichlorobenzene mixture; o-dichlorobenzene; o-Dichlorobenzol; Dichlorobenzene, 1,2-; Dichlorobenzol; Dichloricide; dilantin db; dilatin db; dizene; chloroben; chloroden; cloroben; DCB; dowtherm e; ODB; ODCB; special termite fluid; termitkil. > 95-50-1 > NTP255 > 147.00 > C6H4Cl2 > ClC1=C(C=CC=C1)Cl > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 84 20 20 0 0 0 0 0 0 0 0 2 V2000 4.6133 -4.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6133 -5.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3066 -5.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3066 -4.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4535 -6.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4535 -3.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4535 -2.6585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4535 -7.9755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3066 -8.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1598 -7.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -8.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6133 -8.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7601 -7.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9069 -8.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1598 -3.9878 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1598 -2.6585 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6133 -1.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6133 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7601 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 15 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M CHG 2 15 1 16 -1 M END > 84 > HC Blue no. 2 > 2,2'-((4-((2-hydroxyethyl)amino)-3-nitrophenyl)imino)bisethanol; 3-nitro-N(sup 1),N(sup 1),N(sup 4)-tris(2-hydroxyethyl)-p-phenylenediamine; hc blue 2; N1,N4,N4-tris(2-hydroxyethyl)-2-nitro-p-phenylen ediamine. > 33229-34-4 > NTP293 > 285.30 > C12H19N3O5 > C1(=C(C=CC(=C1)N(CCO)CCO)NCCO)[N+]([O-])=O > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > NE > NE > NE > NE $$$$ 85 11 12 0 0 0 0 0 0 0 0 1 V2000 2.6601 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9901 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6488 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9901 -2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6601 -2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9887 -3.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6587 -3.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6587 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9887 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 M END > 85 > 8-Hydroxyquinoline > 8-OQ; 8-oxyquinoline; 8-quinol; 8-Quinolinol; Azanaphthalene-8-ol; fennosan; Fennosan H 30; HQ; hydroxybenzopyridine; Hydroxychinolin; Hydroxyquinoline; OQ; OXIN; Oxine; oxybenzopyridine; oxychinolin; oxyquinoline; phenopyridine; Quinolinol; quinophenol; Tumex. > 148-24-3 > NTP276 > 145.16 > C9H7NO > OC1=CC=CC2=CC=CN=C12 > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > NE > NE > NE > NE $$$$ 86 12 11 0 0 1 0 0 0 0 0 1 V2000 3.9860 -2.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 -2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9867 -3.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 -4.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -4.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 -3.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9867 -5.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -3.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9867 -1.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -1.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 1 0 0 0 4 5 1 0 0 0 0 4 7 1 6 0 0 0 5 6 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 6 0 0 0 10 11 1 0 0 0 0 M END > 86 > D-Mannitol > 1,2,3,4,5,6-Hexanehexol; diosmol; cordycepic acid; D-mannite; manicol; manita; Manna sugar; mannidex; Mannite; osmitrol; osmosal. > 69-65-8 > NTP236 > 182.17 > C6H14O6 > O[C@@H]([C@@H]([C@H](CO)O)O)[C@H](CO)O > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 87 7 7 0 0 0 0 0 0 0 0 1 V2000 2.6643 -2.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9919 -3.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6597 -1.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6597 -3.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9919 -1.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6643 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 M END > 87 > Phenol > Baker's p and s; benzenol; Carbolic acid; Hydroxybenzene; monohydroxy benzene; monophenol; oxybenzene; Phenyl alcohol; Phenic Acid; Phenic; phenol alcohol; Phenol, liquid; Phenol, molten; PHENOL REAGE NT; Phenol, solid; phenyl hydrate; phenyl hydroxide; Phenylic acid; phenylic acid, phenyl hydroxide; phenylic alcohol. > 108-95-2 > NTP203 > 94.11 > C6H6O > OC1=CC=CC=C1 > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 88 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1557 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 M END > 88 > Propylene > 1-Propene; 1-Propylene; methylethene; Methylethylene; propene; propylene, various grades. > 115-07-1 > NTP272 > 42.08 > C3H6 > CC=C > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > NE > NE > NE > NE $$$$ 89 15 15 0 0 0 0 0 0 0 0 1 V2000 2.3035 -3.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1581 -3.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3035 -1.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4617 -1.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1581 -1.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4617 -3.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3035 -5.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6071 -1.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6071 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7652 -1.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9106 -1.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0687 -1.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2141 -1.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 M END > 89 > Propyl Gallate > 3,4,5-Trihydroxybenzoic acid propyl ester; Gallic acid propyl ester; nipa 49; nipagallin p; n-propyl 3,4,5-trihydroxybenzoate; n-propyl ester of 3,4,5-trihydroxybenzoic acid; n-Propyl Gallate; PG; Pro gallin P; propyl 3,4,5-trihydroxybenzoate; Tenox PG. > 121-79-9 > NTP240 > 212.20 > C10H12O5 > O=C(C1=CC(=C(C(=C1)O)O)O)OCCC > NP > NP > 2 > 1 > 2 > 1 > 2 > 1 > ND > ND > ND > ND $$$$ 90 9 9 0 0 0 0 0 0 0 0 1 V2000 1.1401 -2.1071 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -3.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4238 -3.4290 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4254 -2.0469 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3346 -4.0566 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -1.4172 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5673 -1.3889 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4467 0.0008 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3392 -0.0000 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 6 9 1 0 0 0 0 M END > 90 > 2,6-Toluenediamine Dihydrochloride > 2,6-Diaminotoluene dihydrochloride; toluene-2,6-diamine, dihydrochloride. > 15481-70-6 > NTP200 > 122.17 > C7H10N2 > Cc1c(N)cccc1N > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 91 4 3 0 0 0 0 0 0 0 0 1 V2000 0.6595 -1.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9911 -1.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3081 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > 91 > Vinylidene Chloride > 1,1-Dichloroethene; 1,1-dichloroethylene; 1,1-DCE; asym-dichloroethylene; sconatex; vinylidene dichloride; vinylidene chloride(II). > 75-35-4 > NTP228 > 96.94 > C2H2Cl2 > C=C(Cl)Cl > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 92 22 23 0 0 0 0 0 0 0 0 1 V2000 1.1448 -3.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3022 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3022 -1.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6045 -1.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6045 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -3.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7619 -1.1448 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0878 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4233 -2.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9067 -0.4833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0642 -1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2089 -0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0642 -2.4803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2089 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3664 -2.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5111 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5111 -4.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3664 -5.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2089 -4.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1448 -5.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 22 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > 92 > Acetohexamide > 1-(p-acetylbenzenesulfonyl)-3-cyclohexylurea; 1-((p-acetylphenyl)sulfonyl)-3-cyclohexylurea; 3-cyclohexyl-1-(p-acetylphenylsulfonyl)urea; metaglucina; 4-acetyl-N-((cyclohexylamino)carbonyl)benzenesulf onamide; Dimelin; dimelin (antidiabetic); dimelor; cyclamide; Dymelor; gamadiabet; hypoglicil; minoral; N-(p-acetylbenzenesulfonyl)-N'-cyclohexylurea; N-(p-acetylphenylsulfonyl)-N'-cyclohexylurea; ord imel; tsiklamid; u 14812. > 968-81-0 > NTP50 > 324.39 > C15H20N2O4S > O=S(=O)(C1=CC=C(C=C1)C(=O)C)NC(=O)NC2CCCCC2 > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 93 12 11 0 0 0 0 0 0 0 0 1 V2000 1.1474 -1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3077 -1.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4899 -2.4882 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4551 -1.3279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6154 -1.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7628 -1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7628 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9102 -1.9983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8178 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1474 -3.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9102 -3.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 12 1 0 0 0 0 M END > 93 > Aldicarb > 2-Methyl-2-(methylthio)propanal O-[(methylamino)carbonyl]oxime; 2-methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime; aldicarb+; Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxim e; Methylcarbamic acid, o-((2-methyl-2-(methylthio)propylidene)amino) deriv.; N-methylcarbamoyloxime,2-methyl-2-methylsulfenylpropionaldehyde; N-methylcarbamoyloxime,2-methylthio-2-methylpropionaldehy de; Temik; temik 10 g; temik g10; UC21149; Union Carbide UCÄ 21149. > 116-06-3 > NTP136 > 190.26 > C7H14N2O2S > CC(C=NOC(=O)NC)(SC)C > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 94 16 17 0 0 0 0 0 0 0 0 1 V2000 2.3038 -6.6455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 -5.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3038 -3.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4557 -4.6455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 -4.6455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4557 -5.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6075 -6.6455 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3038 -2.6582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.6455 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4557 -1.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4557 -0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7594 -0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7594 -1.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6075 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6075 -2.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3038 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 M END > 94 > Anilazine > 1,3,5-Triazine, 2,4-dichloro-6-(o-chloroanilino)-; 2,4-dichloro-6-o-chloroanilino-s-triazine; (o-chloroanilino)dichloro-s-triazine; 2-chloro-N-(4,6-dichloro-1,3,5-triazin-2-yl)aniline; 4,6-Dichloro-N- (2-chlorophenyl)-1,3,5-triazin-2-amine; aniyaline; B-622; Dichloro-6-(o-chloroanilino)-s-triazine; Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine; Direx; Direz; bortrysan; Dyrene; dyrene 50w; Kemat e; Triasym; Triasyn; zinochlor. > 101-05-3 > NTP104 > 275.52 > C9H5Cl3N4 > ClC1=NC(=NC(=N1)NC2=CC=CC=C2Cl)Cl > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 95 9 9 0 0 0 0 0 0 0 0 1 V2000 2.3040 -2.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 -3.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -4.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -0.6709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -5.9879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 M END > 95 > p-Anisidine Hydrochloride > 1-amino-4-methoxybenzene hydrochloride; p-aminoanisole hydrochloride; p-Anisidinium chloride; p-anisylamine hydrochloride; 4-methoxy-1-aminobenzene hydrochloride; p-methoxyanilinium chloride; 4-methox y-aniline hydrochloride; p-anisidine monohydrochloride; p-methoxyphenylamine hydrochloride. > 20265-97-8 > NTP116 > 159.62 > C7H9NO > OCc1ccc(N)cc1.Cl > NP > NP > 2 > 3 > 2 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 96 10 10 0 0 0 0 0 0 0 0 1 V2000 2.0027 -4.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 -4.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 -2.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0027 -2.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6618 -3.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6618 -1.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9927 -1.1408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0027 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 M END > 96 > o-Anthranilic Acid > 1-amino-2-carboxybenzene; 2-Aminobenzoic Acid; o-carboxyaniline; Aminobenzoic acid; Anthranilic acid; Carboxyaniline; Vitamin L; Vitamin L1. > 118-92-3 > NTP36 > 137.14 > C7H7NO2 > NC1=C(C=CC=C1)C(=O)O > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 97 16 16 0 0 0 0 0 0 0 0 1 V2000 2.6618 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -1.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3235 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6613 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6613 -1.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3373 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3235 -4.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6618 -4.6103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3373 -0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3373 -3.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4697 -3.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9858 -5.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1773 -5.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3235 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 16 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 M END > 97 > Butylated Hydroxytoluene > 2,6-Bis(1,1-dimethylethyl)-4-methylphenol; 2,6-Di-tert-Butyl-1-Hydroxy-4-Methylbenzene; 2,6-Di-tert-Butyl-4-Methylphenol; 2,6-Di-tert-Butyl-p-Cresol; 3,5-Di-tert-Butyl-4-Hydroxytoluene; 4-Hydroxy-3,5- Di-tert-Butyltoluene; 4-Methyl-2,6-di-t-butyl-phenol; Annulex BHT; Antracine 8; BHT; Dibutylated Hydroxytoluene; BUTYLATED HYDROXYTOLUENE CRYSTALLINE; Butylhydroxytoluene; Catalin CAO-3; Dalpac; DBPC; Embanox BHT; Hydagen DEO; Impruvol; Ionol CP; Sustane; Tenox BHT; Topanol; Topanol OC and 0; Vianol. > 128-37-0 > NTP150 > 220.35 > C15H24O > OC1=C(C=C(C=C1C(C)(C)C)C)C(C)(C)C > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 98 12 11 0 0 0 0 0 0 0 0 1 V2000 4.6099 -1.1557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7656 -1.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7656 -3.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9085 -1.1557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 -1.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 -3.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3114 -1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9663 -0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1557 -0.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6437 -2.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -2.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END > 98 > Carbromal > 1-bromo-ethyl-butyryl-urea; 2-bromo-2-ethylbutyrylurea; tildin; uradal; (alpha-bromo-alpha-ethylbutyryl)carbamide; (alpha-bromo-alpha-ethylbutyryl)urea; adalin; addisomnol; diacid; bromacetocarbamide; bromadal; Bromadal - Carc.; bromadel; bromodiethylacetylcarbamide; Bromodiethylacetylurea; dormiturin; fydalin; hoggar; karbromal; kartryl; N-(aminocarbonyl)-2-bromo-2-ethylbutanamide; nenesin; nycta l; parkosed; pelidorm; pianadalin; planadalin. > 77-65-6 > NTP173 > 237.10 > C7H13BrN2O2 > BrC(C(=O)NC(=O)N)(CC)CC > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 99 14 14 0 0 0 0 0 0 0 0 1 V2000 5.7498 -2.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9023 -2.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9023 -3.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0547 -4.6606 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0547 -2.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5973 -2.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4448 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5973 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4448 -2.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7498 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 -2.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 10 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 M END > 99 > 4'-(Chloroacetyl)-Acetanilide > p-acetamidophenacyl chloride; p-(acetylamino)phenacyl chloride; 4'-(Chloroacetyl)-acetanilide; Acetamide, N-[4-(chloroacetyl)phenyl]-. > 140-49-8 > NTP177 > 211.65 > C10H10ClNO2 > ClCC(=O)C1=CC=C(NC(=O)C)C=C1 > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 100 7 6 0 0 0 0 0 0 0 0 2 V2000 3.3300 -1.3320 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9980 -1.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.1924 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 -1.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 -2.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 M CHG 1 1 1 M END > 100 > (2-Chloroethyl)trimethylammonium Chloride > 2-Chloro-N,N,N-trimethylethanaminium chloride; stabilan; Trimethyl-beta-chlorethylammonium chloride; TUR; 60-cs-16; ac 38555; Antwylegacz; antywylegacz; (beta-chloroethyl)trimethylammonium chloride; C CC; ccc plant growth regulant; Ccc plant growth regulator; Chlorocholine Chloride; Chloroethyl trimethyl ammonium chloride; chlormequat; Chlormequat chloride; choline dichloride; cyclocel; cycocel; cy cogan; cyocel; ei 38,555; hico ccc; hormocel-2ccc; increcel; lihocin; retacel; Retacil. > 999-81-5 > NTP158 > 158.07 > C5H13ClN > [Cl-].C[N+](C)(C)CCCl > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 101 8 8 0 0 0 0 0 0 0 0 1 V2000 1.1519 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3038 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3038 -3.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4558 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4558 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 M END > 101 > 2-(Chloromethyl)Pyridine Hydrochloride > 2-(Chloromethyl)pyridinium chloride; 2-Picolyl chloride hydrochloride; 2-pyridylmethylchloride hydrochloride. > 6959-47-3 > NTP178 > 127.57 > C6H6ClN > ClCc1ccccn1 > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 102 9 9 0 0 0 0 0 0 0 0 1 V2000 2.7232 -4.7547 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9171 -3.3688 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5922 -2.1920 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 -1.1238 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6155 -0.0000 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6148 -1.1274 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.1992 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6824 -3.3727 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0388 -4.4961 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 8 2 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > 102 > 2-Chloro-1,4-Benzenediamine Sulfate (1:1) > 2-chloro-1,4-phenylenediamine sulfate; 2-Chloro-p-phenylenediamine sulfate; C.I. 76066; C.I. oxidation base 13a; fourrine 81; fourrine so; renal brown so; renal so. > 61702-44-1 > NTP113 > 240.66 > C6H7ClN2 > Clc1cc(N)ccc1N.S(=O)(=O)(O)(O) > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > NE > NE > NE > NE $$$$ 103 17 17 0 0 0 0 0 0 0 0 1 V2000 3.4488 -3.3299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2992 -2.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1496 -3.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0605 -1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0605 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 -1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2101 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2101 -2.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5094 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9109 -2.6692 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 -1.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5716 -3.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7481 -3.3299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5985 -2.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5985 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 M END > 103 > Chlorpropamide > 1-(p-chlorobenzenesulfonyl)-3-propylurea; 1-(para-Chlorophenylsulfonyl)-3-propylurea; N-(p-chlorobenzenesulfonyl)-N'-propylurea; n-propyl-N'-(p-chlorobenzenesulfonyl)urea; n-propyl-N'-p-chlorophenylsu lfonylcarbamide; oradian; stabinol; U-3818; 1-propyl-3-(p-chlorobenzenesulfonyl)urea; P 607; 4-chloro-N-((propylamino)carbonyl)benzenesulfonamide; adiaben; asucrol; diabaril; diabechlor; diabenal; dia benese; diabeneza; diabetoral; diabet-pages; Diabinese; catanil; chlorodiabina; chloronase; CHLORPROPAMIDE USP; glisema; Glucamide; meldian; melitase; millinese; N3-Butyl-N1-p-chlorobenzenesulfonylure a. > 94-20-2 > NTP45 > 276.74 > C10H13ClN2O3S > O=S(=O)(C1=CC=C(C=C1)Cl)NC(=O)NCCC > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 104 22 23 0 0 0 0 0 0 0 0 1 V2000 2.6627 -3.3251 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.5067 -2.6627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0003 -4.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3251 -2.1691 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5067 -1.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6624 -4.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3507 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8057 -3.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 -3.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 -2.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2607 -2.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2607 -3.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1177 -1.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1177 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -3.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -1.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5727 -2.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5727 -3.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7157 -3.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7157 -1.3248 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 M END > 104 > Coumaphos > O,O-diethyl O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) phosphorothioate; O,O-diethyl O-(3-chloro-4-methyl-2-oxo-2H-benzopyran-7-yl)phosphorothioate; Resistox; Resitox; Umbelliferone, 3-chloro-4- methyl-, O,O-diethyl phosphorothioate; Umbethion; O,O-diethyl O-(3-chloro-4-methyl-7-coumarinyl) phosphorothioate; O,O-diethyl O-(3-chloro-4-methylumbelliferone); O-(3-chloro-4-methyl-2-oxo-2H-1-benzo pyran-7-yl) O,O-diethyl phosphorothioate; 3-chloro-4-methyl-7-coumarinyl diethyl phosphorothioate; 3-chloro-4-methyl-7-hydroxycoumarin diethyl thiophosphoric acid ester; 3-chloro-4-methylumbelliferone , O-ester with O,O-diethyl phosphorothioate; 3-chloro-7-hydroxy-4-methyl-coumarin O,O-diethyl phosphorothioate; 3-chloro-7-hydroxy-4-methylcoumarin O-ester with O,O-diethyl phosphorothioate; agridip; Asantol; asunthol; Asuntol; Bay 21/199; Baymix; Bazmix; Diethyl O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) phosphorothioate; Diolice; Co-Ral; coumafos; Coumarin, 3-chloro-7-hydroxy-4-methyl-, O- ester with O,O-diethylpyrophosphorothioate; Meldane; Muscatox; Phosphorothioic Acid O-(3-Chloro-4-Methyl-2-Oxo-2H-1-Benzopyran-7-yl) O,O-Diethyl Ester. > 56-72-4 > NTP96 > 362.76 > C14H16ClO5PS > CC1=C(Cl)C(=O)OC2=C1C=CC(=C2)OP(=S)(OCC)OCC > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 105 19 19 0 0 0 0 0 0 0 0 1 V2000 2.3056 -3.3190 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 -2.6603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9643 -2.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2945 -2.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9659 -1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -3.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -1.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9041 -1.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9041 -3.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7639 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7639 -3.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0569 -3.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2096 -3.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0569 -5.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7639 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4584 -3.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6468 -4.4718 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 18 1 0 0 0 0 1 19 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 M END > 105 > Diazinon > O,O-Diethyl O-(2-isopropyl-4-methyl-6-pyrimidinyl) thiophosphoric acid; O,O-diethyl O-2-isopropyl-4-methyl-6-pyrimidyl thiophosphate; O,O-Diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl), phosphorothioa te; O,O-Diethyl O-(6-methyl-2-(1-methylethyl)-4-pyrimidinyl) phosophorothioate; O,O-diethyl O-(6-methyl-2-(1-methylethyl)-4-pyrimidinyl) phosphorothioate; AG-500; Antigal; Basudin; Diagran; dianon; Di aterr-fos; Diazajet; Diazide; Diazitol; Diazol; Diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) phosphorothioate; Diethyl 2-isopropyl-4-methyl-6-pyrimidinyl phosphorothionate; Diethyl 2-isopropyl-4-met hyl-6-pyrimidyl thionophosphate; diethyl 2-isopropyl-6-methyl-4-pyrimidinyl phosphorothionate; Dimpylate; Dimpylatum; Dipofene; Dizinon; Dacutox; Dassitox; Dazzel; Drawizon; Dyzol; Exodin; Fezudin; Fl ytrol; g-24480; Galesan; gardentox; Isopropylmethylpyrimidyl diethyl thiophosphate; kayazinon; Kayazol; Knox Out; Knox out 2FM; Neocidol; Nipsan; Nucidol; Phosphorothioic acid O,O-diethyl O-[6-methyl- 2-(1-methylethyl)-4-pyrimidinyl] ester; Sarolex; Spectracide; thiophosphoric acid 2-isopropyl-4-methyl-6-pyrimidyl diethyl ester. > 333-41-5 > NTP137 > 304.34 > C12H21N2O3PS > S=P(OC1=NC(=NC(=C1)C)C(C)C)(OCC)OCC > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 106 14 16 0 0 0 0 0 0 0 0 1 V2000 3.4565 -2.6589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4565 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6087 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7609 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9131 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9131 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7609 -2.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -2.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3044 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3044 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6087 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 2 3 1 0 0 0 0 3 14 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 14 1 0 0 0 0 8 13 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 M END > 106 > Dibenzo-p-dioxin > Dibenzo[1,4]dioxin; Dibenzo[b,e][1,4]dioxin; Dibenzodioxin; diphenylene dioxide; oxanthrene; phenodioxin. > 262-12-4 > NTP122 > 184.19 > C12H8O2 > O1C2=C(C=CC=C2)OC3=CC=CC=C13 > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 107 11 10 0 0 0 0 0 0 0 0 1 V2000 0.0000 -2.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6596 -1.3192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9914 -1.3192 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 -1.3192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9828 -2.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9743 -3.6277 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9914 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9743 -1.3192 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9914 -2.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8372 -3.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 10 11 1 0 0 0 0 M END > 107 > Dichlorvos > 2,2-dichloroethenol dimethyl phosphate; 2,2-dichloroethenyl dimethyl phosphate; 2,2-dichloroethenyl phosphoric acid dimethyl ester; 2,2-dichlorovinyl alcohol dimethyl phosphate; 2,2-Dichlorovinyl-O,O- dimethyl phosphate; 2,2-Dichlorovinyl dimethyl phosphate; 2,2-dichlorovinyl dimethyl phosphoric acid ester; O,O-dimethyl O-2,2-dichlorovinyl phosphate; O,O-dimethyl 2,2-dichlorovinyl phosphate; O,O-di methyl dichlorovinyl phosphate; apavap; Astrobot; Atgard; atgard c; atgard v; bay-19149; bayer 19149; benfos; bibesol; Dichloroethenyl dimethyl phosphate; Dichlorman; dichlorophos; dichlorovos; DICHLO RVOS [DIMETHYL DICHLORVINYL PHOSPHATE]; dimethyl 2,2-dichloroethenyl phosphate; dimethyl 2,2-dichlorovinyl phosphate; Divipan; brevinyl; brevinyl e50; Canogard; Cekusan; chlorvinphos; Cypona; DDVP; De devap; Delevap; deriban; Derriban; derribante; devikol; duo-kill; duravos; Equigand; Equigard; Equigel; Equiguard; estrosel; Estrosol; fecama; fekama; fly-die; fly fighter; herkal; Herkol; insectigas d; krecalvin; MAFU; mafu strip; marvex; mopari; nefrafos; nerkol; Nogos; nogos 50; nogos 50 ec; nogos g; no-pest; No-Pest Strip; novotox; NUVA; Nuvan; nuvan 100ec; nuvan 7; OKO; OMS 14; panaplate; Pho sphoric acid 2,2-dichloroethenyl dimethyl ester; phosphoric acid 2,2-dichlorovinyl dimethyl ester; phosvit; Prentox; SD 1750; szklarniak; TASK; task tabs; Tenac; tetravos; UDVF; unifos; unifos 50 ec; vapona; vaponite; vapora ii; verdican; verdipor; Verdisol; vinylofos; vinylophos; winylophos. > 62-73-7 > NTP342 > 220.98 > C4H7Cl2O4P > O=P(OC=C(Cl)Cl)(OC)OC > 4.16 > 70.4 > 3 > 3 > 3 > 2 > 3 > 3 > SE > EE > SE > CE $$$$ 108 16 17 0 0 0 0 0 0 0 0 1 V2000 6.6423 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -1.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6423 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9793 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6478 -1.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9793 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -3.4563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6598 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9825 -2.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6510 -3.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6685 -3.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9913 -3.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9913 -1.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6685 -1.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9825 -4.6084 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 M END > 108 > N,N'-Dicyclohexylthiourea > 1,3-Dicyclohexyl-2-thiourea; 1,3-Dicyclohexylthiourea; dicyclohexyl thiourea. > 1212-29-9 > NTP56 > 240.41 > C13H24N2S > S=C(NC1CCCCC1)NC1CCCCC1 > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 109 12 11 0 0 0 0 0 0 0 0 1 V2000 6.9150 -0.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9150 -2.2960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7603 -2.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6055 -2.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 -2.9674 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3095 -2.2960 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 -1.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9674 -1.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3095 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7603 -4.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6381 -3.4508 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 10 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 M END > 109 > Dimethoate > O,O-Dimethyl methylcarbamoylmethyl phosphorodithioate; O,O-dimethyl S-(2-(methylamino)-2-oxoethyl) phosphorodithioate; O,O-dimethyl S-methylcarbamoylmethyl phosphorodithioate; O,O-Dimethyl S-(N-Methyl carbamoylmethyl) Phosphorodithioate; American Cyanamid 12880; Dimethyl phosphorodithioate, S-ester with 2-mercapto-N-methylacetamide; Dimethyl S-((methylcarbamoyl)methyl) phosphorodithioate; Dimethyl S-(N-(methylcarbamoyl)methyl) phosphorodithioate; Cygon; Defend; Fosfamid; Fostion M M; Perfekthion; phosphorodithioic acid O,O-dimethyl ester, ester with 2-mercapto-N-methylacetamide; Phosphorodithio ic Acid O,O-Dimethyl S-(2-(Methylamino)-2-Oxoethyl) Ester; Rebelate; Rogor; Roxion. > 60-51-5 > NTP4 > 229.25 > C5H12NO3PS2 > S=P(SCC(=O)NC)(OC)OC > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 110 11 11 0 0 0 0 0 0 0 0 1 V2000 4.6120 -1.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6120 -3.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -3.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -1.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -3.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -1.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -1.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -5.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -5.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 M END > 110 > 2,4-Dimethoxyaniline Hydrochloride > 2-methoxy-p-anisidine hydrochloride; 4-methoxy-o-anisidine hydrochloride. > 54150-69-5 > NTP171 > 153.18 > C8H11NO2 > COc1ccc(N)c(OC)c1 > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 111 14 14 0 0 0 0 0 0 0 0 1 V2000 2.3041 -2.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3041 -3.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1521 -4.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1521 -2.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1521 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1521 -5.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3041 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3041 -6.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4562 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -7.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 11 14 1 0 0 0 0 M END > 111 > Dimethyl Terephthalate > Dimethyl 1,4-benzenedicarboxylate; Dimethyl p-phthalate; dimethyl ester of 1,4-benzenedicarboxylic acid; DMT; methyl 4-carbomethoxybenzoate; Methyl Terephthalate; terephthalic acid methyl ester. > 120-61-6 > NTP121 > 194.19 > C10H10O4 > O=C(C1=CC=C(C=C1)C(=O)OC)OC > NP > NP > 2 > 1 > 1 > 1 > 2 > 1 > ND > ND > ND > ND $$$$ 112 13 13 0 0 0 0 0 0 0 0 2 V2000 4.6124 -1.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6124 -3.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3062 -3.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3062 -1.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4593 -3.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4593 -1.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4593 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 -1.3305 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1531 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4593 -5.3221 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3062 -5.9810 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6124 -5.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 M CHG 4 8 1 9 -1 11 1 12 -1 M END > 112 > 2,4-Dinitrotoluene > 1-Methyl-2,4-Dinitrobenzene; 2,4-dinitrotoluol; 2,4-DNT; Dinitrotoluene, 2,4-; Dinitrotoluol; DNT. > 121-14-2 > NTP54 > 182.14 > C7H6N2O4 > CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] > 6.21 > NP > 3 > 3 > 3 > 3 > 1 > 1 > ND > ND > ND > ND $$$$ 113 24 24 0 0 1 0 0 0 0 0 1 V2000 8.6543 -4.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8026 -5.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8026 -6.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6543 -2.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5060 -1.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5060 -0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6633 -1.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3214 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6518 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3214 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1846 -6.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1846 -5.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3329 -4.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3304 -4.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0025 -3.4589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3329 -3.4589 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.3329 -2.1286 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6633 -3.4589 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6518 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3240 -1.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3240 -3.4589 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6543 -3.4589 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.9847 -3.4589 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 21 1 0 0 0 0 19 10 1 6 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 M END > 113 > Dioxathion > 1,4-Dioxane-2,3-dithiol, S,S-diester with O,O-diethyl phosphorodithioate; 1,4-dioxan-2,3-diyl O,O,O',O'-tetraethyl di(phosphoromithioate); Ruphos; S,S'-1,4-dioxane-2,3-diyl O,O,O',O'-tetraethyl phosph orodithioate; 1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl phosphorodithioate; 1,4-Dioxan-2,3-diyl-bis(O,O-diethyl phosphorothiolothionate); 1,4-Dioxanedithiol S,S-bis(O,O-diethyl phosphorodithioate); 2, 3-p-dioxanedithiol S,S-bis(O,O-diethyl phosphorodithioate); 2,3-p-dioxane S,S-bis(O,O-diethylphosphorodithioate); p-dioxane-2,3-dithiol, S,S-diester with O,O-diethyl phoshorodithioate; p-dioxane-2,3-d iyl ethyl phosphorodithioate; AC 528; dioxation; dioxothion; Cooper Del-Tox Delnav; Delanov; Delnatex; Delnav; Delnav(R); deltic; Dextrone X; hercules 528; Hercules AC528; kavadel; Navadel; Phosphorod ithioic acid S,S'-1,4-dioxane-2,3-diyl O,O,O',O'-tetraethyl ester; phosphorodithioic acid S,S'-p-dioxane-2,3-diyl O,O,O',O'-tetraethyl ester. > 78-34-2 > NTP125 > 456.52 > C12H26O6P2S4 > S=P(S[C@@H]1OCCOC1SP(=S)(OCC)OCC)(OCC)OCC > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 114 19 23 0 0 0 0 0 0 0 0 1 V2000 0.6489 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2978 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5955 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2978 -2.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5955 -2.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2303 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5281 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1770 -2.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5281 -3.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2303 -3.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5955 -4.4858 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1770 -4.4858 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4747 -2.2429 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1770 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5281 -2.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1770 -3.7381 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8258 -2.6096 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2978 -0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 6 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 M END > 114 > Endrin > 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo-endo-5,8-dimethano-naphthalene; 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo,endo-1,4:5,8-dimethanonaphth alene; (1aalpha,2beta,2abeta,3alpha,6alpha,6abeta,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-Dimethanonaphth[2,3-b]oxirene; (1R,4S,5R,8S)-1,2,3,4,10,10-hexachloro-1,4, 4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene; 2,7:3,6-Dimethanonaphth(2,3-b)oxirane, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aalpha,2beta,3alpha,6alpha,6abeta,7beta, 7aalpha)-; 3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene; 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene, (1aA, 2B,2aB,3A,6A,6aB,7B,7aA)-; compound 269; Endrex; Endrin 1.6 EC; endrin mixture; experimental insecticide 269; experimental insecticide no. 269; hexachloroepoxyoctahydro-endo,endo-dimethanonaphthalene; Hexadrin; Mendrin; Nendrin; oms 197. > 72-20-8 > NTP12 > 380.91 > C12H8Cl6O > C12OC1C3CC2C4[C@@]5(C(=C([C@@](C34)(C5(Cl)Cl)Cl)Cl)Cl)Cl > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 115 11 11 0 0 0 0 0 0 0 0 1 V2000 3.3280 -2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -3.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9993 -4.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3287 -3.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3280 -4.6060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9993 -2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3287 -1.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9993 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3287 -5.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1515 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 9 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 9 10 1 0 0 0 0 M END > 115 > Ethionamide > 1314 Th; 2-ethyl-4-aminothiocarbonylpyridine; etimid; Etiocidan; etionamid; etionid; etionizine; ETP; f.i. 58-30; Iridocin; Nisotin; sertinon; teberus; th 1314; thiomid; Tio-Mid; Trecator; Trecator-SC ; Trescatyl; Tubermin; tuberoid; 2-ethyl-4-pyridinecarbothioamide; 2-ethyl-4-thiocarbamoylpyridine; 2-ethylisonicotinic acid thiomide; 2-ethylisonicotinic thioamide; 2-Ethylisonicotinoylthioamide; 2-e thylisothionicotinamide; 2-Ethylthioisonicotinamide; 3-Ethylisothionicotinamide; alpha-ethylisonicotinic acid thioamide; alpha-ethylisonicotinoylthioamide; alpha-ethylisothionicotinamide; alpha-ethylt hioisonicotinamide; Aetina; amidazin; Bayer 5312; ETH; Ethatyl; Ethimide; ethina; ethinamide; Ethioniamide; ethylisothiamide; ethyonomide. > 536-33-4 > NTP46 > 166.24 > C8H10N2S > NC(=S)C1=CC(=NC=C1)CC > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 116 4 3 0 0 0 0 0 0 0 0 1 V2000 1.3226 -1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1572 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.9966 -0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.9966 -2.3018 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > 116 > Iodoform > Triiodomethane. > 75-47-8 > NTP110 > 393.73 > CHI3 > IC(I)I > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 117 31 34 0 0 1 0 0 0 0 0 1 V2000 5.4622 -4.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3722 -3.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3722 -2.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2822 -1.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -2.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -3.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2822 -4.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -1.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2822 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -3.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5296 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4622 -1.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5522 -2.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5522 -3.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4969 -4.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7322 -4.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0592 -3.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2825 -2.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1787 -3.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3898 -3.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8396 -4.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6285 -5.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9882 -5.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7165 -5.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7028 -3.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6507 -0.9083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3722 -5.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8272 -5.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 27 1 0 0 0 0 1 31 1 6 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 30 1 1 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 3 29 1 6 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 1 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 1 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 6 0 0 0 10 11 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 6 0 0 0 18 19 1 0 0 0 0 18 26 1 6 0 0 0 19 20 1 0 0 0 0 19 25 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 26 27 1 0 0 0 0 M END > 117 > Lithocolic Acid > 17beta-(1-methyl-3-carboxypropyl)etiocholan-3alpha-ol; 3alpha-Hydroxy-5beta-cholan-24-oic acid; 3alphahydroxy-5beta-cholanic acid; 3alpha-Hydroxy-5beta-cholanoic acid; 3alpha-hydroxycholanic acid; cho lan-24-oic acid, 3-hydroxy-, (3alpha,5beta)-. > 434-13-9 > NTP175 > 376.58 > C24H40O3 > [C@@]12([C@]3([C@@]([C@@]4([C@](CC3)(C[C@@H](CC4)O)[H])C)(CC[C@]1([C@H]([C@@H](CCC(O)=O)C)CC2)C)[H])[H])[H] > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 118 19 18 0 0 0 0 0 0 0 0 1 V2000 4.6068 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 -1.9928 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -0.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3034 -1.3199 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4551 -1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4551 -3.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6068 -1.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6068 -3.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6068 -5.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7585 -1.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7585 -3.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9102 -3.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0619 -3.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8246 -3.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1445 -3.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9102 -1.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0619 -1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 18 19 1 0 0 0 0 M END > 118 > Malaoxon > O,O-dimethyl-S-(1,2-dicarbethoxy)ethyl phosphorothioate; O,O-dimethyl S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate; diethyl((dimethoxyphosphinyl)thio)butanedioate; ((dimethoxyphosphinyl)thio)butane dioic acid diethyl ester; carbethoxy malaoxon; liromat; Malathion-o-analog; malathion oxygen analog; oxycarbophos; phosphorothioic acid, O,O-dimethyl ester, S-ester with 1,2-bis(methoxy-carbonyl)ethan ethiol; S-(1,2-diethoxycarbonyl)ethyl O,O-dimethyl phosphorothioate; succinic acid, mercapto-, diethyl ester, S-ester with O,O-dimethylphosphorothioate. > 1634-78-2 > NTP135 > 314.29 > C10H19O7PS > O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 119 19 18 0 0 0 0 0 0 0 0 1 V2000 2.3110 -1.9935 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 -0.8380 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4664 -1.3332 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6219 -1.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6219 -3.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7774 -1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7774 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7774 -3.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7774 -5.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9202 -1.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9202 -3.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0756 -3.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2311 -3.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9712 -3.1490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1555 -2.6538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -4.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0756 -1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2311 -1.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 18 19 1 0 0 0 0 M END > 119 > Malathion > 1,2-di(ethoxycarbonyl)ethyl O,O-dimethyl phosphorodithioate; O,O-dimethyldithiophosphate diethyl mercaptosuccinate; O,O-dimethyl phosphorodithioate ester of diethyl mercaptosuccinate; O,O-dimethyl S-( 1,2-dicarbethoxyethyl) dithiophosphate; O,O-dimethyl S-(1,2-dicarbethoxyethyl)phosphorodithioate; O,O-dimethyl-S-(1,2-dicarbethoxyethyl) thiothionophosphate; O,O-dimethyl-S-(1,2-bis(ethoxycarbonyl)eth yl)dithiophosphate; O,O-dimethyl S-1,2-di(ethoxycarbonyl)ethyl phosphorodithioate; Dicarbethoxyethyl-O,O-dimethyldithiophosphate; Dicarboethoxyethyl O,O-dimethyl phosphorodithioate; diethyl [(dimethox yphosphinothioyl)thio]butanedioate; diethyl (dimethoxyphosphinothioylthio)succinate; diethyl mercaptosuccinate, O,O-dimethyl dithiophosphate, S-ester; Diethyl mercaptosuccinate, O,O-dimethyl phosphoro dithioate; diethyl mercaptosuccinate, O,O-dimethyl thiophosphate; diethyl mercaptosuccinate S-ester with O,O-dimethylphosphorodithioate; diethyl mercaptosuccinic acid O,O-dimethyl phosphorodithioate; Diethyl mercaptosuccinic acid, S-ester of O,O-dimethyl phosphorodithioate; [(Dimethoxyphosphinothioyl)thio]butanedioic acid diethyl ester; Dimethyl dithiophosphate of diethyl mercaptosuccinate; Dimeth yl phosphorodithioate of diethyl mercaptosuccinate; calmathion; carbethoxy malathion; carbetovur; carbetox; carbofos; carbophos; celthion; chemathion; cimexan; Cleensheen; compound 4049; Cythion; detm ol ma; emmatos; Ethiolacar; Etiol; fosfothion; fyfanon; insecticide no. 4049; karbofos; kop-thion; Lice Rid; malacide; malagran; malamar; Malaspray; Maldison; mercaptosuccinic acid diethyl ester S-est er with O,O-dimethyl phosphorothioate; mercaptothion; MLT; phosphorodithioic acid, O,O-dimethyl ester, S-ester with diethyl mercaptosuccinate; phosphothion; S-(1,2-bis(carbethoxy)ethyl) O,O-dimethyl d ithiophosphate; S-1,2-bis(ethoxycarbonyl)ethyl O,O-dimethyl dithiophosphate; S-(1,2-di(ethoxycarbonyl)ethyl) dimethylphosphorothiolothionate; sadofos. > 121-75-5 > NTP24 > 330.35 > C10H19O6PS2 > O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 120 11 11 0 0 0 0 0 0 0 0 1 V2000 1.9884 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6596 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9894 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9894 -3.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9778 -2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9884 -2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6596 -3.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6586 -2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 8 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 M END > 120 > DL-Menthol > (+-)-menthol; 1-methyl-4-isopropyl-3-hydroxycyclohexane; (1S,2R,5S)-(+)-menthol; 3-p-menthol; 4-isopropyl-1-methylcyclohexan-3-ol; 5-methyl-2-(1-methylethyl)cyclohexanol (1alpha, 2beta, 5alpha); cis-1 ,3-trans-1,4-(+-)-menthol; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1alpha,2beta,5alpha)-(+-)-; DL-3-p-menthanol; (DL)-5-methyl-2-(1-methylethyl)cyclohexanol; Racementhol; RACEMIC MENTHOL U.S.P. . > 15356-70-4 > NTP98 > 156.27 > C10H20O > OC1CC(CCC1C(C)C)C.OC1CC(C)CCC1C(C)C > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 121 21 22 0 0 0 0 0 0 0 0 1 V2000 3.4530 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6082 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 -2.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2978 -1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6082 -1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2978 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7508 -2.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9060 -1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9060 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2038 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2038 -1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0612 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0612 -2.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3590 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5142 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7508 -3.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4305 -3.9862 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7508 -5.3191 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0837 -3.9862 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 14 2 0 0 0 0 15 16 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END > 121 > Methoxychlor > 1,1,1-Trichloro-2,2-bis(p-anisyl)ethane; 1,1,1-trichloro-2,2-bis(p-methoxyphenyl)ethane; 1,1'-(2,2,2-Trichloroethylidene)-bis[4-methoxybenzene]; 1,1-bis(p-methoxyphenyl)-2,2,2-trichloroethane; 2,2,2-t richloro-1,1-bis(4-methoxyphenyl)ethane; 2,2-bis(p-anisyl)-1,1,1-trichloroethane; 2,2-bis(p-methoxyphenyl)-1,1,1-trichloroethane; 4,4-(2,2,2-trichloroethylidene)dianisole; p,p'-dimethoxydiphenyltrichl oroethane; p,p'-dmdt; p,p'-methoxychlor; Bis(p-anisyl)-1,1,1-trichloroethane; Bis(p-methoxyphenyl)-1,1,1-trichloroethane; di(p-methoxyphenyl) trichloromethyl methane; dianisyltrichloroethane; Dimethox ydiphenyltrichloroethane; dimethoxy-ddt; dimethoxy-dt; Chemform; Chemform methoxychlor; DMDT; double-m ec; flo pro mcseed protectant; Maralate; Marlate; Maxie; methoxcide; methoxo; methoxychlor 2 ec; Methoxy DDT; Metox; mezox k; Moxie; oms 466. > 72-43-5 > NTP35 > 345.65 > C16H15Cl3O2 > ClC(C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)(Cl)Cl > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 122 16 16 0 0 0 0 0 0 0 0 2 V2000 5.7672 -0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9181 -1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7672 -3.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6163 -2.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9181 -2.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6163 -1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4654 -0.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0690 -3.1457 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0690 -4.4756 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.2198 -2.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3018 -1.1509 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.6368 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1509 -1.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -2.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3018 -3.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 M CHG 2 8 1 9 -1 M END > 122 > Methyl Parathion > O,O-dimethyl O-(p-nitrophenyl) thionophosphate; O,O-dimethyl O-p-nitrophenyl phosphorothioate; nitrox; nitrox 80; Penncap-M; Phosphorothioic acid O,O-dimethyl O-(4-nitrophenyl) ester; wofatox; O,O-dim ethyl O-p-nitrophenyl thiophosphate; Metacide; Metafos; Metaphor; Metaphos; p-nitrophenyldimethylthionophosphate; Parathion-methyl; parathion methyl homolog; bay e-601; Dimethyl O-p-nitrophenyl thioph osphate; dimethyl p-nitrophenyl monothiophosphate; Dimethyl 4-nitrophenyl phosphorothionate; dimethyl p-nitrophenyl thionophosphate; dimethyl parathion; bladan m; Dalf; Dalif; E 601; folidol-80; Folid ol-M; liquid; metron. > 298-00-0 > NTP157 > 263.20 > C8H10NO5PS > S=P(OC1=CC=C(C=C1)[N+](=O)[O-])(OC)OC > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 123 16 16 0 0 0 0 0 0 0 0 1 V2000 1.3301 -5.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0015 -4.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9902 -5.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3315 -6.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3315 -4.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0015 -6.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9902 -3.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9902 -8.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3301 -8.0691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3315 -2.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0015 -9.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -8.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0015 -2.3055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9902 -1.1527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3315 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 7 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 M END > 123 > Mexacarbate > 4-(dimethylamino)-3,5-dimethylphenol, methylcarbamate; 4-Dimethylamino-3,5-Dimethylphenol Methylcarbamate Ester; 4-(Dimethylamino)-3,5-dimethylphenyl methylcarbamate; 4-Dimethylamino-3,5-xylyl methylc arbamate; 4-Dimethylamino-3,5-xylyl N-methylcarbamate; Mexacarbamate; Mexacarbole; Zactran; Zectane; Zectran. > 315-18-4 > NTP147 > 222.29 > C12H18N2O2 > CC1=C(C(=CC(=C1)OC(=O)NC)C)N(C)C > NP > NP > 1 > ND > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 124 14 15 0 0 0 0 0 0 0 0 1 V2000 2.6590 -2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9885 -2.3045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9879 -5.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 -5.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -4.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9879 -3.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 -3.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 -1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9879 -1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6469 -1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9764 -1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6475 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 10 2 0 0 0 0 2 12 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 8 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > 124 > N-1-Naphthylethylenediamine Dihydrochloride > 1-amino-2-(alpha-naphthylamino)ethane dihydrochloride; Marshall's reagent; N-1-naphthyl-1,2-ethanediamine dihydrochloride; N-alpha-naphthylethylenediamine dihydrochloride. > 1465-25-4 > NTP168 > 186.26 > C12H14N2 > NCCNc1cccc2ccccc12 > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 125 13 13 0 0 0 0 0 0 0 0 2 V2000 3.4573 -2.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4573 -3.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 -3.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 -2.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3049 -4.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3049 -2.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3049 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4573 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3049 -5.9901 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1524 -6.6486 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4573 -6.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 M CHG 2 11 1 12 -1 M END > 125 > 4-Nitroanthranilic Acid > 2-amino-4-nitrobenzoic acid; 4-nitro-2-aminobenzoic acid. > 619-17-0 > NTP109 > 182.14 > C7H6N2O4 > O=[N+](C1=CC(=C(C=C1)C(=O)O)N)[O-] > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 126 13 14 0 0 0 0 0 0 0 0 2 V2000 2.3057 -1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -3.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 -1.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 -3.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 -5.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -5.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 -5.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 -3.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 -1.3302 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6113 -1.9890 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4585 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 11 1 0 0 0 0 2 10 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 M CHG 2 11 1 12 -1 M END > 126 > 1-Nitronaphthalene > alpha-nitronaphthalene. > 86-57-7 > NTP64 > 173.17 > C10H7NO2 > O=[N+](C1=C2C(=CC=C1)C=CC=C2)[O-] > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 127 11 11 0 0 0 0 0 0 0 0 2 V2000 3.9926 -2.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -3.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 -2.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0026 -1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0026 -3.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9926 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 -4.6010 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6010 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0026 -5.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 M CHG 2 9 1 10 -1 M END > 127 > 4-Nitro-orto-Phenylenediamine > 1,2-Diamino-4-nitrobenzene; 2-Amino-4-nitroaniline; 3,4-diaminonitrobenzene; 4-n-o-pda; 4-NDB; 4-nitro-1,2-Benzenediamine; 4-nitro-1,2-diaminobenzene; 4-nitro-1,2-phenylenediamine; 4-NO; 4-NOP; 4-NOPD ; C.I. 76020. > 99-56-9 > NTP180 > 153.14 > C6H7N3O2 > O=[N+](C1=CC(=C(C=C1)N)N)[O-] > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 128 8 7 0 0 0 0 0 0 0 0 2 V2000 0.6591 -2.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9899 -2.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 -1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9925 -1.1534 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6515 -2.3068 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6515 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 M CHG 2 6 1 7 -1 M END > 128 > 3-Nitropropionic Acid > beta-nitropropionic acid; BNP; bovinocidin; hiptagenic acid. > 504-88-1 > NTP52 > 119.08 > C3H5NO4 > OC(=O)CC[N+](=O)[O-] > NP > NP > 2 > 3 > 2 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 129 14 14 0 0 0 0 0 0 0 0 2 V2000 3.4489 -2.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4489 -3.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1538 -3.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1538 -2.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3077 -4.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3077 -2.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0034 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6661 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3077 -5.9975 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6027 -4.6661 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6027 -2.0034 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3077 -0.6720 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4489 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1538 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 M CHG 2 12 1 13 -1 M END > 129 > Pentachloronitrobenzene > Avical; Avicol; Quintozine; saniclor 30; SA Terraclor; SA Terraclor 2E; Terrachlor; Terraclor; Terrafun; Tilcarex; Tri PCNB; tritisan; batrilex; Botrilex; brassicol; Earthcide; Eorthcicle; fartox; fom ac 2; Fortox; fungiclor; gc 3944-3-4; Kobu; Kobutol; KP 2; Marison Forte; nitropentachlorobenzene; olpisan; PCNB; Pentagen; Pkhnb; quintobenzene; quintocene; quintozen. > 82-68-8 > NTP61 & NTP325 > 295.34 > C6Cl5NO2 > ClC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-] > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > NE > NE $$$$ 130 15 15 0 0 0 0 0 0 0 0 1 V2000 6.9164 -2.0015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9164 -3.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7637 -3.9902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6110 -3.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4582 -3.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 -3.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 -3.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 -2.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0692 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0692 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0692 -3.9902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2219 -2.0015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 14 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 M END > 130 > Phenformin Hydrochloride > 1-phenethylbiguanide hydrochloride; 1-phenethylbiguanide monohydrochloride; Dipar; DBI-TD; meltrol; N'-beta-phenethylbiguanide hydrochloride; N-beta-phenylethyl biguanide hydrochloride; N(sup 1)-beta- phenethylbiguanide hydrochloride; phenethylbiguanide hydrochloride; phenoformine hydrochloride. > 834-28-6 > NTP7 > 205.26 > C10H15N5 > NC(=N)NC(=N)NCCc1ccccc1 > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 131 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -2.0263 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 -3.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 -3.3548 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 -1.9617 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2078 -3.9890 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.3285 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -0.0000 0.0019 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2085 -5.3170 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 M END > 131 > p-Phenylenediamine Dihydrochloride > 1,4-Benzenediamine dihydrochloride; 1,4-Diaminobenzene dihydrochloride; 1,4-Phenylenediamine Dihydrochloride; p-Amimoaniline dihydrochloride; 4-Aminoaniline dihydrochloride; p-benzenediamine dihydroch loride; p-Diaminobenzene dihydrochloride; p-pda HCl; p-pd HCl; p-phenylenediamine hydrochloride; C.I. 76061; C.I. oxidation base 10a; durafur black rc; fourrine 64; fourrine ds; oxidation base 10a; pe lagol cd; pelagol grey cd. > 624-18-0 > NTP174 > 108.14 > C6H8N2 > Nc1ccc(N)cc1 > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 132 13 14 0 0 0 0 0 0 0 0 1 V2000 0.6708 -4.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8986 -2.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 -2.6579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9744 -3.9869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1266 -5.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6202 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2528 -1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2528 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5563 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5563 -1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 -2.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 M END > 132 > 1-Phenyl-3-Methyl-5-Pyrazolone > 1-phenyl-3-methylpyrazolone-5; 2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one; 3-methyl-1-phenyl-2-pyrazolin-5-one; 3-methyl-1-phenyl-5-pyrazolone; C.I. developer 1; developer z; norphenazone. > 89-25-8 > NTP141 > 174.20 > C10H10N2O > O=C1N(C2=CC=CC=C2)N=C(C1)C > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 133 14 15 0 0 0 0 0 0 0 0 1 V2000 2.2983 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4537 -0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2983 -2.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1555 -1.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4537 -1.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1555 -0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6092 -2.6538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7647 -1.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7647 -0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0756 -0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0756 -1.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9202 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9202 -2.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 M END > 133 > N-Phenyl-p-Phenylenediamine > 4-Aminodiphenylamine; p-anilinoaniline; p-semidine; acna black df base; azosalt R; diphenyl black; diphenyl black base P; C.I. 37240; C.I. 76085; C.I. azoic diazo component 22; C.I. developer 15; C.I. oxidation base 2; fast blue r salt; luxan black R; N-(4-aminophenyl)aniline; naphthoelan navy blue; N-phenyl-1,4-benzenediamine; N-phenyl-1,4-phenylenediamine; N-phenyl-p-aminoaniline; oxy acid black base; peltol br; peltol br ii; phenyl 4-aminophenyl amine; variamine blue salt rt. > 101-54-2 > NTP82 > 184.24 > C12H12N2 > NC1(=CC=C(C=C1)NC2=CC=CC=C2) > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 134 10 10 0 0 0 0 0 0 0 0 1 V2000 2.3050 -3.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 -4.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 -1.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 -2.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4575 -1.9884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4575 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6099 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 M END > 134 > 1-Phenyl-2-Thiourea > 1-phenylthiourea; alpha-phenylthiourea; N-phenylthiourea; Phenylthiocarbamide; Phenylthiourea; PTC; PTU; U 6324. > 103-85-5 > NTP148 > 152.21 > C7H8N2S > NC(=S)NC1=CC=CC=C1 > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 135 12 12 0 0 0 0 0 0 0 0 1 V2000 4.6089 -3.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4567 -4.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3045 -2.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4567 -2.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3045 -3.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6089 -2.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4567 -0.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -2.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3045 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -0.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6089 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 M END > 135 > Phthalamide > 1,2-Benzenedicarboxamide; o-phthalic acid diamide; Phthalamide. > 88-96-0 > NTP161 > 164.16 > C8H8N2O2 > NC(=O)C1=C(C=CC=C1)C(=O)N > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 136 11 12 0 0 0 0 0 0 0 0 1 V2000 1.1537 -4.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2946 -4.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2946 -2.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1537 -2.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4199 -0.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 -0.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2835 -2.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5893 -2.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 M END > 136 > Phthalic Anhydride > 1,2-Benzenedicarboxylic acid anhydride; 1,2-benzenedicarboxylic anhydride; 1,3-dihydro-1,3-dioxoisobenzofuran; 1,3-Dioxophthalan; 1,3-Isobenzofurandione; 1,3 Phthalandione; ESEN; phthalandione; Phthal ic acid anhydride; retarder ak; retarder esen; retarder pd. > 85-44-9 > NTP159 > 148.12 > C8H4O3 > O=C1C2=C(C=CC=C2)C(=O)O1 > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 137 24 25 0 0 0 0 0 0 0 0 1 V2000 13.8219 -2.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8219 -0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9695 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9695 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1171 -2.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1171 -0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3922 -0.2550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1700 -1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3922 -2.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6616 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6616 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5140 -2.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3665 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2061 -2.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0586 -2.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9110 -2.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7506 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6031 -2.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4555 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2952 -2.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1476 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5140 -0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3665 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 M END > 137 > Pyrenone 606 > (3,4-methylenedioxy-6-propylbenzyl)(butyl) diethylene glycol ether; 3,4-Methylenedioxy-6-propylbenzyl n-butyl diethylene glycol ether; 4,5-Methylenedioxy-2-propylbenzyldiethyleneglycol butyl ether; 5- ((2-(2-butoxyethoxy)ethoxy)methyl)-6-propyl-1,3-benzodioxole; 6-Propylpiperonyl Butyl Diethylene Glycol Ether; 6-(propylpiperonyl)-butyl carbityl ether; alpha-(2-(2-butoxyethoxy)ethoxy)-4,5-methylened ioxy-2-propyltoluene; Alleviate; Benzodioxole, 5-((2-(2-butoxyethoxy)ethoxy)methyl)-6-propyl-; Butacide; butocide; butyl carbitol 6-propylpiperonyl ether; butyl-carbityl (6-propylpiperonyl) ether; nia 5273; Obilique; PB; Propylpiperonyl butyl diethyleneglycol ether; pybuthrin; Scourge; synpren-fish; Vex. > 51-03-6 > NTP120 > 338.44 > C19H30O5 > CCCC1=CC2=C(C=C1COCCOCCOCCCC)OCO2 > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 138 27 29 0 0 0 0 0 0 0 0 2 V2000 2.6496 -1.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3120 -1.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6527 -2.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6527 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -2.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 -1.3312 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6431 -1.3312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3024 -2.4848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 -2.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3312 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6335 -2.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2959 -2.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6240 -1.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3055 -1.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6240 -3.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3055 -3.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3055 -5.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6240 -5.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6335 -4.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2959 -4.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2959 -7.0869 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1422 -7.7461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4495 -6.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6335 -0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9551 -8.2405 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 7 10 2 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 9 13 1 0 0 0 0 13 18 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 15 16 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 M CHG 2 12 -1 27 -1 M END > 138 > FD & C Yellow no. 6 > 1351 yellow; 1-p-sulfophenylazo-2-hydroxynaphthalene-6-sulfonate, disodium salt; 1-p-sulfophenylazo-2-naphthol-6-sulfonic acid, disodium salt; 1899 yellow; para orange; 6-hydroxy-5-((p-sulfophenyl)azo )-2-naphthalenesulfonic acid disodium salt; 6-Hydroxy-5-(4-sulfophenylazo)-2-naphthalenesulfonic acid trisodium salt; acid yellow tra; a.f. yellow no. 5; aizen food yellow no. 5; alabaster no. 3; atul sunset yellow fcf; disodium salt of 1-p-sulfophenylazo-2-naphthol-6-sulfonic acid; dispersed orange 11348; dispersed yellow 12116; canacert sunset yellow fcf; certicol sunset yellow cfs; certolake su nset yellow; C.I. 15985; C.I. food yellow 3; C.I. food yellow 3, disodium salt; cilefa orange s; dolkwal sunset yellow; dye fdc yellow lake 6; dye fdc yellow no. 6; dye sunset yellow; E 110; edicol su pra yellow fc; eniacid sunset yellow; eurocert orange fcf; fd & c no. 6; fd & c yellow 6; fd and c yellow lake no. 6; fd & c yellow no. 6 aluminum lake; foodcol sunset yellow fcf; food yellow 3; food yellow 6; Food Yellow No.5; hd sunset yellow fcf; hd sunset yellow fcf supra; hexacol sunset yellow f & f supra; hexacol sunset yellow fcf; hexacol sunset yellow fcf supra; hexacol sunset yellow fcp; jaune orange s; jaune soleil; kca foodcol sunset yellow fcf; L-Orange 2; L. Orange Z2010; maple sunset yellow fcf; orange ii r; orange pal; orange rgl; orange yellow s; orange yellow s.af; orange yell ow s.fq; standacol sunset yellow fcf; sun orange a geigy; Sunset Yellow; sunset yellow bss; Sunset yellow FCF; sunset yellow fcf supra; sunset yellow fu; sunset yellow fu supra; sunset yellow lake; su n yellow; sun yellow a-ce; sun yellow a-fdc; sun yellow fcf; Trisodium 6-hydroxy-5-(4-sulfonatophenylazo)-2-naphthalenesulfonate; usacert fd & c yellow no. 6; usacert yellow no. 6; usalake fd & c yell ow no. 6 lake; yellow no. 6; yellow orange s; yellow orange specially pure 85; yellow orange s specially pure; yellow sf for food; yellow sun; yellow sy for food. > 2783-94-0 > NTP208 > 452.37 > C16H10N2O7S2 > Oc2ccc1cc(ccc1c2N=Nc3ccc(cc3)S([O-].[Na+].)(=O)=O)S([O-].[Na+].)(=O)=O > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 139 15 15 0 0 0 0 0 0 0 0 2 V2000 3.4571 -2.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4571 -3.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 -3.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 -2.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 -4.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 -0.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0008 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6601 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6095 -4.6601 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6095 -2.0008 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 -5.9898 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1524 -6.6483 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4571 -6.6483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 9 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 7 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 M CHG 2 13 1 14 -1 M END > 139 > 2,3,5,6-Tetrachloro-4-Nitroanisole > 1,2,4,5-tetrachloro-3-methoxy-6-nitrobenzene; 2,3,5,6-tetrachloronitroanisole; 4-nitro-2,3,5,6-tetrachloroanisole; TCNA; tetrachloronitroanisole. > 2438-88-2 > NTP114 > 290.92 > C7H3Cl4NO3 > ClC1=C(Cl)C(=C(Cl)C(=C1OC)Cl)[N+]([O-])=O > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 140 16 15 0 0 0 0 0 0 0 0 1 V2000 2.3088 -2.6660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3088 -3.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4569 -2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -4.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4569 -0.6633 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6049 -2.6660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7530 -2.0027 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 -2.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0618 -2.0027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 -3.9926 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0618 -0.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2099 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2099 -2.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3579 -2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 M END > 140 > Tetraethylthiuram Disulfide > 1,1'-dithiobis(N,N-diethylthioformamide); Abstenisil; Averzan; bis((diethylamino)thioxomethyl)disulfide; bis(Diethylthiocarbamoyl) disulfide; Dicupral; bis(N,N-diethylthiocarbamoyl) disulfide; Disetil ; Disulfamide; disulfan; Disulfiram; DISULFIRAM (TETRAETHYLTHIURAM DISULFIDE); Disulfirm; disulfuram; Bonibal; Contralin; Contrapot; Cronetal; Ekagom DTET; Ekagom TEDS; Ephorran; Espenal; Esperal; Eta bus; Ethyldithiourame; Ethyldithiurame; Ethyl thiram; Ethyl thiudad; Ethyl Thiurad; Ethyl tuads; Ethyl tuex; Exhoran; Exhorran; HOCA; Krotenal; N,N,N',N'-tetraethylthiuram disulfide; Nocbin; Nocceler; Noxal; Refusal; Robac TET; Ro-Sulfiram; Stopaethyl; Stopethyl; Stopetyl; TATD; Tenurid; Tenutex; TETD; tetidis; Tetradine; Tetraethylthioperoxydicarbonothioic Diamide; tetraethylthiram disulfide; tet raethylthiuram; Tetraetil; teturam; Teturamin; thioscabin; thireranide; thiuram e; Thiuranide; tillram; tiuram; TTD; TTS; Abstensil; abstinil; Abstinyl; Accel TET; Alcophobin; alk-aubs; Antadix; Antab use; Antaenyl; Antaethan; Antaethyl; Antalcol; Antetan; antethyl; Antetil; Anteyl; Anticol; Antietanol; Antiethanol; anti-ethyl; Antietil; Antikol; Antivitium; Aversan. > 97-77-8 > NTP166 > 296.52 > C10H20N2S4 > S=C(N(CC)CC)SSC(=S)N(CC)CC > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 141 21 22 0 0 0 0 0 0 0 0 1 V2000 9.0640 -2.8400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3778 -3.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0546 -4.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5636 -5.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2896 -5.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1881 -5.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0952 -3.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2873 -1.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1897 -0.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8883 -1.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9727 -2.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4902 -0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6854 -2.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1756 -1.9508 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4762 -2.2560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3786 -1.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4808 -0.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8837 -3.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9937 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6791 -1.5660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 M END > 141 > Tolazamide > 1-(hexahydro-1-azepinyl)-3-p-tolylsulfonylurea; 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)urea; 4-(p-tolylsulfonyl)-1,1-hexamethylenesemicarbazide; N-(p-toluenesulfonyl)-N'-hexamethyleniminourea ; N-(((hexahydro-1H-azepin-1-yl)amino)carbonyl)-4-methylbenzenesulfonamide; Tolamide; Tolinase; U 17835. > 1156-19-0 > NTP51 > 311.40 > C14H21N3O3S > O=S(=O)(C1=CC=C(C=C1)C)NC(=O)NN2CCCCCC2 > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 142 18 18 0 0 0 0 0 0 0 0 1 V2000 0.6587 -5.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9893 -3.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 -4.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6587 -3.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9893 -5.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 -2.3055 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3199 -1.1593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5019 -1.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8073 -2.9774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6505 -1.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3224 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3224 -2.3055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6398 -2.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3117 -3.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6423 -3.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3010 -4.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 18 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 M END > 142 > Tolbutamide > 1-p-toluenesulfonyl-3-butylurea; 1-butyl-3-(p-methylphenylsulfonyl)urea; 1-Butyl-3-(para-tolylsulfonyl) urea; 1-butyl-3-tosylurea; 3-(p-tolylsulfonyl)-1-butylurea; aglicid; arkozal; artosin; artozin; diaben; diabetol; diabetamid; diabuton; butamid; BZ 55; D 860; dolipol; drabet; hls 831; ipoglicone; mobenol; N-(p-tolylsulfonyl)-N'-butylcarbamide; N-(p-tolylsulfonyl)-N'-n-butylurea; N-((butylamino) carbonyl)-4-methylbenzenesulfonamide; N-butyl-N'-p-toluenesulfonylurea; N-butyl-N'-toluene-p-sulfonylurea; N-n-butyl-N'-tosylurea; orabet; oralin; Oramide; orezan; Orinase; orinaz; oterben; rastinon; sk-tolbutamide; tolbusal; TOLBUTAMIDE USP; toluina; tolumid; toluran; tolylsulfonylbutylurea; willbutamide. > 64-77-7 > NTP31 > 270.35 > C12H18N2O3S > O=S(=O)(C1=CC=C(C=C1)C)NC(=O)NCCCC > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 143 14 13 0 0 0 0 0 0 0 0 1 V2000 2.3590 -3.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 -4.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 -1.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 -2.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 -1.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 -5.4679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 -6.7497 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5633 -6.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 -5.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0679 -6.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 -8.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 M END > 143 > 2,5-Toluenediamine Sulfate > 2,5-TDS; 2-methyl-1,4-Benzenediamine sulfate; 2-methyl-p-phenylenediamine sulfate; para, meta-tolylenediamine sulfate; para-Toluenediamine sulfate; C.I. 76043; C.I. oxidation base 4; fouramine std; ox idation base 14; toluene-2,5-diamine sulfate; toluylene-2,5-diamine sulfate. > 6369-59-1 > NTP126 > 220.23 > C7H12N2O4S > OS(O)(=O)=O.Nc1ccc(N)c(c1)C > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 144 20 19 0 0 0 0 0 0 0 0 2 V2000 2.6565 -2.2966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0052 -1.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0052 -3.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9933 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6684 -1.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6565 -4.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0052 -5.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2966 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9933 -4.6103 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6617 -3.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9986 -3.4449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6498 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6498 -4.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9986 -1.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6498 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6617 -1.1483 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9867 -4.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6551 -5.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6551 -3.4449 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 11 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 4 9 -1 10 -1 17 -1 20 -1 M END > 144 > Trisodium Ethylenediaminetetraacetate > EDTA, trisodium salt; Ethanediylbis(N-(carboxymethyl)glycine) trisodium salt; ethylenediaminetetraacetic acid, trisodium salt; Ethylenediaminetetraacetic acid, trisodium salt monohydrate; hamp-ene na3 t; nevanaid-b; N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycine) trisodium salt; perma kleer 50, trisodium salt; sequestrene na3; sequestrene trisodium; trilon ao; trisodium edetate; trisodium hydroge n ethylenediaminetetraacetate; trisodium hydrogen (ethylenedinitrilo)tetraacetate; trisodium versenate; versene 9. > 150-38-9 > NTP11 > 358.19 > C10H12N2O8 > OC(=O)CN(CCN(CC(=O)(O[Na]))CC(=O)(O[Na]))CC(=O)(O[Na]) > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 145 15 16 0 0 0 0 0 0 0 0 1 V2000 4.1007 -5.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4322 -6.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1082 -6.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4322 -4.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1082 -4.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4397 -5.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1414 -4.8848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2083 -3.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4912 -1.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 -1.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 -2.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4708 -3.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0134 -1.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0337 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 M END > 145 > L-(-)-Tryptophane > 2-amino-3-indol-3-ylpropionic acid; 2-amino-3-indolylpropanoic acid; 2-Amino-3-(lH-indol-3-yl)-propanoic acid; 3-indol-3-ylalanine; alpha'-amino-3-indolepropionic acid; alpha-amino-beta-(3-indolyl)-pr opionic acid; indole-3-alanine; L-alpha-amino-3-indolepropionic acid; L-alpha-aminoindole-3-propionic acid; L-beta-3-indolylalanine; L-TRP; L-TRYPTOPHAN SIGMA GRADE; L-TTP; Pacitron; (S)-(-)-Tryptopha n; Trp; Tryptophan; W. > 73-22-3 > NTP71 > 204.23 > C11H12N2O2 > N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 146 17 19 0 0 0 0 0 0 0 0 1 V2000 0.6584 -4.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 -2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -4.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6591 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6591 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9886 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 -2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9886 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9765 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6476 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9765 -2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9772 -1.1523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 -4.6090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 7 17 2 0 0 0 0 8 9 1 0 0 0 0 8 16 2 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 M END > 146 > 2-Aminoanthraquinone > 2-amino-9,10-Anthracenedione; 2-amino-9,10-anthraquinone; AAQ; aminoanthraquinone; beta-aminoanthraquinone; beta-anthraquinonylamine. > 117-79-3 > NTP144 > 223.23 > C14H9NO2 > O=C1C2=CC(=CC=C2C(=O)C3=C1C=CC=C3)N > 101 > 1190 > 3 > 3 > 3 > ND > 3 > 3 > ND > ND > ND > ND $$$$ 147 14 14 0 0 0 0 0 0 0 0 1 V2000 3.4557 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4557 -5.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 -5.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3038 -5.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3038 -3.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3038 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3038 -7.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 -7.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 -9.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 M END > 147 > 3'-Amino-4'-Ethoxyacetanilide > N-(3-amino-4-ethoxyphenyl)acetamide. > 17026-81-2 > NTP112 > 194.23 > C10H14N2O2 > NC1=C(C=CC(=C1)NC(=O)C)OCC > NP > 2070 > 3 > 3 > 1 > 1 > 3 > 1 > ND > ND > ND > ND $$$$ 148 16 18 0 0 0 0 0 0 0 0 1 V2000 0.7734 -0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9271 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0681 -0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7734 -1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9271 -2.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0681 -1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1933 -3.9556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5245 -4.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 -2.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1743 -3.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6291 -5.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3882 -2.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3106 -5.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4928 -3.6767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3059 -4.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 15 16 1 0 0 0 0 M END > 148 > 3-Amino-9-Ethylcarbazole > 9H-Carbazol-3-amine, 9-ethyl. > 132-32-1 > NTP93 > 210.28 > C14H14N2 > c1cccc3c1c2c(ccc(N)c2)n3CC > 57.2 > 38.6 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 149 18 20 0 0 0 0 0 0 0 0 1 V2000 0.6723 -4.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0041 -4.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6637 -3.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0041 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6637 -1.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9956 -3.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6679 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9956 -1.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9997 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6593 -1.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6679 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9997 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6593 -3.4502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6679 -4.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0041 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9912 -1.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 7 17 2 0 0 0 0 8 9 1 0 0 0 0 8 16 2 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 M END > 149 > 1-Amino-2-Methylanthraquinone > 1-Amino-2-methyl-9,10-Anthracenedione; 2-Methyl-1-anthraquinonylamine; Acetate Fast Orange R; acetoquinone light orange jl; artisil orange 3RP; disperse orange; celliton orange r; C.I. 60700; C.I. Dis perse Orange 11; cilla orange r; duranol orange g; Fast Orange R; microsetile orange ra; nyloquinone orange jr; perliton orange 3R; serisol orange yl; supracet orange r. > 82-28-0 > NTP111 > 237.26 > C15H11NO2 > O=C1C2=C(C(=CC=C2C(=O)C3=C1C=CC=C3)C)N > 59.2 > 174 > 3 > 3 > 3 > 3 > 1 > 3 > ND > ND > ND > ND $$$$ 150 11 11 0 0 0 0 0 0 0 0 2 V2000 3.4581 -3.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 -4.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 -2.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 -3.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 -2.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6108 -1.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 -0.6587 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4581 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1527 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 M CHG 2 9 1 10 -1 M END > 150 > 4-Amino-2-Nitrophenol > o-nitro-p-aminophenol; 3-nitro-4-hydroxyaniline; p-Aminonitrophenol; 4-hydroxy-3-nitroaniline; C.I. 76555; C.I. oxidation base 25; fourrine 57; fourrine brown pr; fourrine brown propyl; oxidation base 25. > 119-34-6 > NTP94 > 154.13 > C6H6N2O3 > OC1=C(C=C(C=C1)N)[N+](=O)[O-] > 309 > NP > 3 > 3 > 3 > 2 > 1 > 1 > ND > ND > ND > ND $$$$ 151 9 9 0 0 0 0 0 0 0 0 2 V2000 2.7894 -2.2316 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0033 -1.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7894 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0447 -0.4945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0447 -1.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1224 -2.5993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -1.1538 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 M CHG 2 7 1 8 -1 M END > 151 > 2-Amino-5-Nitrothiazole > 5-nitro-2-aminothiazole; 5-nitro-2-thiazolamine; 5-nitro-2-thiazolylamine; aminonitrothiazole; aminonitrothiazolum; aminzol soluble; amnizol soluble; enheptin; enheptin premix; enheptin-t; Enheptyne; entramin; nitramin ido; nitromin ido. > 121-66-4 > NTP53 > 145.14 > C3H3N3O2S > O=[N+](C1=CN=C(S1)N)[O-] > 44.6 > NP > 3 > 3 > 3 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 152 7 7 0 0 0 0 0 0 0 0 1 V2000 2.6598 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0012 -3.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6713 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6713 -3.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0012 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6598 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 M END > 152 > Aniline Hydrochloride > Anilinium Chloride; aniline chloride; Benzenamine hydrochloride; C.I. 76001; hydrochloride benzenamine; phenylamine hydrochloride. > 142-04-1 > NTP130 > 129.59 > C6H7N > Nc1ccccc1.Cl > 269 > NP > 3 > 1 > 3 > 3 > 1 > 1 > ND > ND > ND > ND $$$$ 153 9 9 0 0 0 0 0 0 0 0 1 V2000 2.6581 -3.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9873 -4.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6582 -2.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6582 -4.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9873 -2.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6581 -1.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9873 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 M END > 153 > 2-Anisidine Hydrochloride > 1-Amino-2-Methoxybenzene Hydrochloride; o-aminoanisole hydrochloride; o-anisylamine hydrochloride; 2-methoxy-1-aminobenzene hydrochloride; 2-Methoxybenzenamine, Hydrochloride; o-methoxyphenylamine hyd rochloride; C.I. 37115; fast red bb base. > 134-29-2 > NTP89 > 123.15 > C7H9NO > C1(=C(C=CC=C1)N)OC > 29.7 > 966 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 154 19 20 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 -2.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6582 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9873 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6582 -2.3038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9873 -3.4557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6582 -3.4557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6582 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9873 -2.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6456 -3.4557 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9747 -3.4557 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.3038 -3.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9747 -4.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9747 -2.1266 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9747 -4.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1266 -5.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 M END > 154 > Azinphos-Methyl > O,O-dimethyl S-(1,2,3-benzotriazinyl-4-keto)methyl phosphorodithioate; O,O-dimethyl S-(3,4-dihydro-4-keto-1,2,3-benzotriazinyl-3-methyl) dithiophosphate; crysthion 2l; crysthyon; Crysthyon 2L; DBD; go thnion; Gusathion; gusathion-20; gusathion 25; gusathion k; Gusathion M; gusathion methyl; Gusthion M; guthion; GUTHION (AZINPHOS-METHYL); Guthion, Gusation; Guthion(R); Gution; Ketokil No. 52; methyl azinphos; Methyl gusathion; Methyl guthion; metiltriazotion; N-methylbenzazimide, dimethyl dithiophosphoric acid ester; phosphorodithioic acid O,O-dimethyl ester, S-ester with 3-mercaptomethyl-1,2,3-b enzotriazin-4(3H)-one; Phosphorodithioic acid O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester; R 1582; S-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-ylmethyl) O,O-dimethyl phosphorodithio ate; S-(3,4-dihydro-4-oxobenzo[d][1,2,3]triazin-3-ylmethyl) O,O-dimethyl phosphorodithioate; O,O-dimethyl S-4-oxo-1,2,3-benzotriazin-3(4H)-ylmethyl phosphorodithioate; O,O-dimethyl S-(4-oxo-1,2,3-benz otriazino(3)-methyl) thiothionophosphate; O,O-dimethyl S-(4-oxo-3H-1,2,3-benzotriazine-3-methyl) phosphorodithioate; O,O-dimethyl S-(4-oxobenzotriazino-3-methyl) phosphorodithioate; O,O-dimethyl S-(be nzaziminomethyl) dithiophosphate; 3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one O,O-dimethyl phosphorodithioate; 3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one O,O-dimethyl phosphorodithioate S-est er; Azimil; azinophos-methyl; Azinphos-Me; Bay; bay 17147; bay 9027; Bayer 17147; bayer 9027; Beetle Buster; Dimethoxy ester of (4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl ester of dithiophosphoric acid ; dimethyl dithiophosphoric acid N-methylbenzazimidyl ester; Dimethyl S-(3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one) phosphorodithioate; Dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) pho sphorodithioate; carfene; cotneon; Cotnion-methyl. > 86-50-0 > NTP69 > 317.32 > C10H12N3O3PS2 > O=C1C2=C(C=CC=C2)N=NN1CSP(=S)(OC)OC > NP > NP > 2 > 3 > 2 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 155 14 15 0 0 0 0 0 0 0 0 1 V2000 0.0000 -3.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2931 -2.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2931 -3.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1529 -1.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1529 -4.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4461 -1.9891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -2.6606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7519 -1.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7519 -0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0577 -0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0577 -1.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9048 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9048 -2.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 M END > 155 > Azobenzene > 1,2-Diphenyldiazene; azobenzide; azobenzol; azobisbenzene; azodibenzeneazofume; azofume; benzeneazobenzene; benzofume; diazobenzene; Diphenyldiazene; diphenyl diimide. > 103-33-3 > NTP154 > 182.22 > C12H10N2 > N(=N/c1ccccc1)\c2ccccc2 > 24.1 > NP > 3 > 3 > 3 > 3 > 1 > 1 > ND > ND > ND > ND $$$$ 156 9 10 0 0 0 0 0 0 0 0 1 V2000 0.0000 -2.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1535 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1535 -2.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 -2.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 -0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -0.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3479 -1.3310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -2.4084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 M END > 156 > 1,2,3-Benzotriazole > 1,2,3-triaza-1H-indene; 1,2,3-triazaindene; 1,2-aminoazophenylene; 1H-benzotriazole; 2,3-diazaindole; Azimidobenzene; aziminobenzene; benzene azimide; Benzisotriazole; Benzotriazole; Cobratec 99; cobr atec #99; U-6233. > 95-14-7 > NTP88 > 119.13 > C6H5N3 > N1C2=C(C=CC=C2)N=N1 > NP > NP > 2 > 3 > 2 > 2 > 1 > 2 > ND > ND > ND > ND $$$$ 157 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1493 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2986 -0.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4479 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5971 -0.6694 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 M END > 157 > n-Butyl Chloride > 1-Chlorobutane; butyl chloride; Chlorobutane, 1-; N-propylcarbinyl chloride. > 109-69-3 > NTP312 > 92.57 > C4H9Cl > CCCCCl > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > NE > NE > NE > NE $$$$ 158 4 3 0 0 0 0 0 0 0 0 1 V2000 33.5929 -23.1309 -0.0009 N 0 0 0 0 0 0 0 0 0 0 0 0 34.5647 -22.5137 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7342 -21.8192 0.0022 N 0 0 0 0 0 0 0 0 0 0 0 0 37.5803 -22.8404 -0.0018 Ca 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 M END > 158 > Calcium Cyanamide > aero-cyanamid; Alzodef; Alzodex; Calcium Carbamide; Calcium Carbimide; Cyanamide, calcium; Cyanamide, Calcium Salt (1:1); Cyanamid pam-amd; cy-l 500; Lime Nitrogen; nitrogen lime; nitrolime; Temposil. > 156-62-7 > NTP163 > 80.10 > CCaN2 > [Ca]=NC(#N) > NP > NP > 1 > 3 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 159 18 20 0 0 0 0 0 0 0 0 1 V2000 1.1351 -3.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1351 -1.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2701 -1.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2701 -5.2437 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9327 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3109 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2701 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5187 -2.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2701 -3.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4052 -3.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4052 -1.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6522 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4195 -2.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6522 -3.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7304 -2.6218 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0518 -4.9239 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3837 -3.2773 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3837 -1.9664 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 11 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 M END > 159 > Chlordane > Aspon-chlordane; HCS 3260; Dowchlor; 1-Exo,2-endo,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene; Dow-klor; 4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-; Octach lorohexahydromethanoindene; Tat chlor 4; Compound K; Compound K (FDA); Chlordane (avg cis-,trans-); 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindane; cortilan-neu; oktaterr; sd 553 2; shell sd-5532; topichlor 20; topiclor 20; oms 1437; starchlor; unexan-koeder; clordano; kilex lindane; Velsicol 1068; 1,2,4,5,6,7,8,8-Octachloro-4,7-Methano-3a,4,7,7a-Tetrahydroindane; Octachlor; 1 ,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetra-hydro-4,7-methan-; oindane; 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-Methano-1H-indene; Chlordane (alpha and gamma isomers); Chlor Kil; Chlortox ; Gold Crest; Intox; Kypchlor; M 410; Octa-Klor; Syndane; Termi-ded; Topiclor; 1,2,4,5,6,7,8,8-octa-8,8-octachloro-3a,4,7,7a-tetrahydro-4,7-methanoindan; CD 68; Toxichlor; Ortho-Klor; Belt; Synklor; C orodane; alpha-, gamma-Chlordane. > 57-74-9 > NTP8 > 409.78 > C10H6Cl8 > C1(CC2C(C1Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl > NP > 1.37 > 3 > 1 > 1 > 1 > 3 > 3 > ND > ND > ND > ND $$$$ 160 19 20 0 0 1 0 0 0 0 0 1 V2000 3.9292 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2744 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -2.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2744 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9646 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2390 -2.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2744 -3.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -3.7855 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5841 -2.6514 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9646 -3.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3097 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3097 -2.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8938 -3.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8938 -1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -4.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3097 -4.5362 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2681 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2390 -4.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2744 -5.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 6 0 0 0 2 5 1 0 0 0 0 3 6 1 1 0 0 0 3 7 1 6 0 0 0 4 8 1 6 0 0 0 4 9 1 6 0 0 0 4 10 1 0 0 0 0 5 11 1 1 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 6 14 1 1 0 0 0 7 10 1 6 0 0 0 7 15 1 0 0 0 0 10 12 1 1 0 0 0 10 16 1 1 0 0 0 12 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 6 0 0 0 M END > 160 > Chlorendic Acid > 1,4,5,6,7,7-bicyclo[2.2.1]-5-heptene-2,3-dicarboxylic acid; 1,4,5,6,7,7-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid; 1,4,5,6,7,7-hexachloro-5-norbornene-2,3-dicarboxylic acid; 1,4,5,6,7,7-Hexachlor obicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid; 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid; het acid; hexachloroendomethylenetetrahydrophthalic acid. > 115-28-6 > NTP304 > 388.85 > C9H4Cl6O4 > Cl[C@]2(Cl)[C@@]1(Cl)C(/Cl)=C(/Cl)[C@]2(Cl)[C@H](C(=O)O)[C@@H]1C(=O)O > 40.8 > 141 > 3 > 1 > 3 > 3 > 3 > 1 > CE > CE > CE > NE $$$$ 161 8 8 0 0 0 0 0 0 0 0 1 V2000 2.3047 -1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 -3.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1523 -3.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1523 -1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1523 -5.3185 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1523 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 M END > 161 > p-Chloroaniline Hydrochloride > 4-chlorobenzenamine hydrochloride. > 20265-96-7 > NTP351 > 164.03 > C6H6ClN > C1(=CC=C(Cl)C=C1)N.Cl > 7.62 > 89.5 > 3 > 3 > 3 > 2 > 3 > 1 > CE > EE > SE > NE $$$$ 162 21 22 0 0 0 0 0 0 0 0 1 V2000 6.6485 -1.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3108 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3106 -1.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6352 -2.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6352 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3108 -2.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9866 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3243 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3243 -2.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9866 -2.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9865 -1.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3244 -1.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3244 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3109 -1.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3109 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6350 -1.3244 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3109 -2.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4631 -3.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1587 -3.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0064 -2.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8674 -3.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 14 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 16 1 0 0 0 0 4 6 2 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > 162 > Chlorobenzilate > 4,4'-dichlorobenzilic acid ethyl ester; 4-Chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetic acid ethyl ester; ACAR; Acaraben; acaraben 4E; Akar; akar 338; akar 50; Ben-o-chlor; benz-o-chlor; Be nzilan; Benzilen; Dichlorobenzilic acid ethyl ester; Chlorobenzylate; compound 338; ECB; ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate; Ethyl 4,4'-Dichlorobenzilate; ethyl 4,4'-dichlorodiphenylglycol late; ethyl 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetate; ethyl ester of 4,4'-dichlorobenzilic acid; Folbex; folbex smoke-strips; g 23992; G 338; geigy 338; Kopmite. > 510-15-6 > NTP75 > 325.19 > C16H14Cl2O3 > OC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)C(=O)OCC > NP > 93.9 > 3 > 1 > 2 > 2 > 3 > 3 > ND > ND > ND > ND $$$$ 163 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 -2.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2923 -2.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4448 -1.3298 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 M END > 163 > 3-Chloro-2-Methylpropene > 1-chloro-2-methyl-2-propene; 2-methylallyl chloride; 3-Chloro-2-methyl-1-propene; 3-Chloro-2-methylprop-1-ene; 3-chloroisobutene; 3-chloroisobutylene; beta-methallyl chloride; beta-methylallyl chlorid e; Isobutenyl chloride; Methallyl chloride; gamma-chloroisobutylene. > 563-47-3 > NTP300 > 90.55 > C4H7Cl > CC(=C)CCl > 113 > 77.7 > 3 > 2 > 3 > 3 > 3 > 3 > CE > CE > CE > CE $$$$ 164 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1529 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -2.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1529 -2.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -0.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4586 -2.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6115 -2.0017 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 7 8 1 0 0 0 0 M END > 164 > 3-(Chloromethyl) Pyridine Hydrochloride > 3-Picolyl chloride hydrochloride. > 6959-48-4 > NTP95 > 127.57 > C6H6ClN > ClCc1cccnc1 > 433 > 429 > 3 > 3 > 3 > 2 > 3 > 3 > ND > ND > ND > ND $$$$ 165 9 9 0 0 0 0 0 0 0 0 1 V2000 3.4578 -2.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4578 -3.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1526 -3.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1526 -2.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -3.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -5.3197 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 M END > 165 > 4-Chloro-meta-Phenylenediamine > 1-chloro-2,4-diaminobenzene; 4-chloro-1,3-Benzenediamine; 4-chloro-1,3-diaminobenzene; 4-chloro-1,3-phenylenediamine; 4-chlorophenyl-1,3-diamine; 4-chlorophenylene-1,3-diamine; 4-chlorophenylenediamin e; 4-cl-m-pd; C.I. 76027. > 5131-60-2 > NTP85 > 142.59 > C6H7ClN2 > NC1=C(C=CC(=C1)N)Cl > 315 > 1230 > 3 > 3 > 3 > 1 > 1 > 3 > ND > ND > ND > ND $$$$ 166 9 9 0 0 0 0 0 0 0 0 1 V2000 2.6581 -2.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 -3.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 -3.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6581 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6074 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 M END > 166 > 4-Chloro-orto-Phenylenediamine > 1,2-diamino-4-chlorobenzene; 1-chloro-3,4-diaminobenzene; 2-amino-4-chloroaniline; 3,4-diamino-1-chlorobenzene; 3,4-diaminochlorobenzene; 4-chloro-1,2-Benzenediamine; 4-chloro-1,2-diaminobenzene; p-ch loro-1,2-phenylenediamine; 4-cl-o-pd; C.I. 76015; ursol olive 6g. > 95-83-0 > NTP63 > 142.59 > C6H7ClN2 > NC1=C(C=CC(=C1)Cl)N > 214 > 1340 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 167 14 14 0 0 0 0 0 0 0 0 1 V2000 3.8778 -13.9893 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 -15.3146 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1498 -15.6165 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2934 -14.1602 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9371 -16.1657 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2111 -13.3849 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -13.4469 -0.0006 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3055 -16.4490 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7689 -17.8866 0.0004 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1751 -16.0303 -0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4725 -12.9839 -0.0006 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3521 -11.9668 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -10.8212 -0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2383 -17.1234 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 6 12 1 0 0 0 0 8 14 3 0 0 0 0 12 13 3 0 0 0 0 M END > 167 > Chlorothalonil > 1,3-dicyano-2,4,5,6-tetrachlorobenzene; 2,4,5,6-Tetrachloro-1,3-benzenedicarbonitrile; 2,4,5,6-tetrachloro-1,3-dicyanobenzene; 2,4,5,6-tetrachloroisophthalonitrile; Ortho Multi-Purpose Fungicide Dacon il 2787; m-TCPN; Black Leaf Lawn & Garden Fungicide; Bombardier; Bonide; Bravo; bravo-w-75; chloroalonil; Chlorothanonil; ClortoCaffaro; Clortosip; DAC-2787; Dacobre; Daconil; Daconil 2787; Dexol Fung icide Containing Daconil; Dragon Daconil 2787; Echo 75; Evade; Exotherm; Exotherm Termil; Farber; Ferti-lome; Forturf; Green Charm Multi-Purpose Fungicide; Green Thumb Lawn & Garden Fungicide; Jupital ; Ole; Pennington's Pride Multi-Purpose Fungicide; Pillarich; Pro-Care Multi-Purpose Fungicide; Repulse; Rigo's Best Lawn & Garden Fungicide; SA Lawn Ornamental & Vegetable Fungicide; Security Fungi-G ard; Sweep; Taloberg; TCIN; Termil; Tetrachloro-1,3-dicyanobenzene; tetrachloroisophthalonitrile; TPN; Tuffcide; Vanox. > 1897-45-6 > NTP41 > 265.91 > C8Cl4N2 > ClC1=C(C(=C(C(=C1C#N)Cl)Cl)Cl)C#N > 2270 > NP > 3 > 1 > 3 > 3 > 1 > 1 > ND > ND > ND > ND $$$$ 168 9 9 0 0 0 0 0 0 0 0 1 V2000 3.4504 -3.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -3.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1543 -1.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -1.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1543 -3.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4504 -1.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6047 -1.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 M END > 168 > 3-Chloro-para-Toluidine > 1-Amino-3-chloro-4-methylbenzene; 2-Chloro-4-aminotoluene; 3-Amino-2-chlorotoluene; 3-Chloro-4-Methyl-Benzenamine; 3-chloro-4-methylaniline; 3-CPT; 4-Amino-2-Chlorotoluene; dkc 1347; drc 1339; Gull To xicant; Toluidine, 3-chloro-. > 95-74-9 > NTP145 > 141.60 > C7H8ClN > ClC1=C(C=CC(=C1)N)C > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 169 9 9 0 0 0 0 0 0 0 0 1 V2000 2.3079 -2.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 -2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6032 -2.6630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6032 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 M END > 169 > 4-Chloro-orto-Toluidine Hydrochloride > 2-amino-5-chlorotoluene hydrochloride; 2-methyl-4-chloroaniline hydrochloride; fast red salt tra; fast red salt trn; hindasol red tr salt; kromon green b; natasol fast red tr salt; neutrosel red trva; ofna-perl salt rra; red base ciba ix; red base irga ix; Red Salt Ciba IX; red salt irga ix; red trs salt; Sanyo Fast Red Salt TR; 4-Chloro-2-methylanilinium chloride; 4-Chloro-2-methylaniline hydroch loride; 4-Chloro-2-Methylbenzenamine, Hydrochloride; 4-chloro-6-methylaniline hydrochloride; 5-chloro-2-aminotoluene hydrochloride; Amarthol Fast Red TR Salt; amarthol fast red tr base; azanil red sal t trd; azoene fast red tr salt; azogene fast red tr; azoic diazo component 11 base; Azoic Diazo No. 11; diazo fast red tr; diazo fast red tra; brentamine fast red tr salt; C.I. 37085; C.I. azoic diazo component 11; daito red salt tr; devol red k; devol red ta salt; devol red tr; fast red 5ct salt; Fast Red TR salt. > 3165-93-3 > NTP165 > 141.60 > C7H8ClN > C1(=C(C=CC(=C1)Cl)N)C > NP > 25.8 > 3 > 1 > 1 > 1 > 3 > 3 > ND > ND > ND > ND $$$$ 170 9 9 0 0 0 0 0 0 0 0 1 V2000 1.9916 -3.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6596 -3.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6596 -1.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9916 -1.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6639 -2.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -2.2960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6639 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 6 7 1 0 0 0 0 M END > 170 > 5-Chloro-orto-Toluidine > 1-amino-3-chloro-6-methylbenzene; 2-Amino-4-Chlorotoluene; red kb base; spectrolene red kb; stable red kb base; 2-Methyl-5-Chloroaniline; 3-chloro-6-methylaniline; 4-chloro-2-aminotoluene; 5-chloro-2- methyl-benzamine; 5-chloro-2-methylaniline; 5-Chloro-2-Methylbenzenamine; acco fast red kb base; ansibase red kb; azoene fast red kb base; azoic diazo component 32; C.I. 37090; C.I. Azoic Diazo Compon ent No. 32; fast red kb salt; fast red kb amine; fast red kb base; fast red kbs salt; fast red kb salt supra; genazo red kb soln; hiltonil fast red kb base; lake red bk base; metrogen red former kb so ln; naphthosol fast red kb base; pharmazoid red kb. > 95-79-4 > NTP187 > 141.60 > C7H8ClN > NC1=CC(=CC=C1C)Cl > NP > 195 > 3 > 1 > 1 > 1 > 3 > 3 > ND > ND > ND > ND $$$$ 171 19 20 0 0 1 0 0 0 0 0 1 V2000 1.1533 -3.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1533 -1.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3067 -1.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3067 -3.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -1.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6134 -1.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -1.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 -1.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0607 -1.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2141 -1.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0607 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3674 -1.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5207 -1.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5207 -3.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3674 -3.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2141 -3.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0607 -3.9923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 14 15 1 1 0 0 0 15 16 2 0 0 0 0 16 17 1 6 0 0 0 17 18 2 0 0 0 0 18 19 1 6 0 0 0 M END > 171 > Cinnamyl Anthranilate > 2-aminobenzoic acid 3-phenyl-2-propenyl ester; 2-Propen-1-ol, 3-phenyl-, 2-aminobenzoate; 3-phenyl-2-propen-1-yl anthranilate; 3-phenyl-2-propenyl anthranilate; Anthranilic acid cinnamyl ester; cinnam yl alcohol, anthranilate; cinnamyl 2-aminobenzoate. > 87-29-6 > NTP196 > 253.30 > C16H15NO2 > NC1=C(C=CC=C1)C(=O)OC/C=C/C2=CC=CC=C2 > 12100 > 2580 > 3 > 1 > 3 > 1 > 3 > 3 > ND > ND > ND > ND $$$$ 172 10 10 0 0 0 0 0 0 0 0 1 V2000 3.9894 -2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3181 -3.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3298 -2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9884 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9884 -3.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3181 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9894 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3298 -4.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3298 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 10 1 0 0 0 0 M END > 172 > meta-Cresidine > 2-amino-5-methoxytoluene; 2-methyl-p-anisidine; 4-methoxy-2-methylaniline. > 102-50-1 > NTP105 > 137.18 > C8H11NO > COC1=CC(=C(C=C1)N)C > 470 > NP > 3 > 3 > 3 > 3 > ND > 1 > ND > ND > ND > ND $$$$ 173 10 10 0 0 0 0 0 0 0 0 1 V2000 3.4568 -1.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4568 -3.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1523 -3.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1523 -1.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3046 -3.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3046 -1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3046 -5.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3046 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4568 -5.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 8 10 1 0 0 0 0 M END > 173 > para-Cresidine > 1-amino-2-methoxy-5-methylbenzene; 2-amino-4-methylanisole; 2-amino-p-cresol methyl ether; 2-methoxy-5-methylaniline; 3-amino-4-methoxytoluene; m-amino-p-cresol, methyl ether; para-CRESIDINE (2-METHOX Y-5-METHYLANILINE); 4-methyl-2-aminoanisole; 5-Methyl-o-Anisidine; azoic red 36; C.I. azoic red 83; Cresidine; krezidine. > 120-71-8 > NTP142 > 137.18 > C8H11NO > NC1=CC(=CC=C1OC)C > 98 > 54.3 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 174 10 10 0 0 0 0 0 0 0 0 2 V2000 2.3057 -3.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -5.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 -5.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 -3.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 -1.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -1.3302 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 M CHG 1 9 -1 M END > 174 > Cupferron > Ammonium Nitrosophenylhydroxylamine; ammonium N-nitrosophenylhydroxylamine; Ammonium salt of N-hydroxy-N-nitrosoaniline; N-hydroxy-N-nitrosobenzenamine ammonium salt; N-nitroso-N-phenylhydroxylamine, ammonium salt; N-nitrosophenylhydroxylamine ammonium salt. > 135-20-6 > NTP100 > 137.13 > C6H5N2O2 > C1(N(N=O)[O-])=CC=CC=C1 > 8.35 > 585 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 175 17 18 0 0 0 0 0 0 0 0 1 V2000 1.3327 -1.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0058 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9981 -1.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3385 -2.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3385 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0058 -2.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3309 -1.3193 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6636 -1.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3309 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3309 -2.6520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3232 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3290 -1.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6559 -2.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6559 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3232 -2.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6482 -1.3193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 M END > 175 > Dapsone > 1,1'-sulfonylbis(4-aminobenzene); 1358F; Metabolite C; 4,4'-Diaminodiphenyl sulfone; 4,4'-diaminophenyl sulfone; 4,4'-sulfonylbisbenzamine; 4,4-Sulfonyldianiline; 4,4'-Sulfonylbisbenzenamine; 4-Aminop henyl sulfone; Acedapsone; Araldite HT; Avlosulfone; Avsulfor; Bis(4-aminophenyl)sulfone; Diaminodiphenylsulfone; Diaphenylsulfone; Diphenasone; Diphone; Disulone; Croysulfone; DADPS; dapsonum; DDS; D SS; dubronax; Dubronaz; Dumitone; Eporal; F 1358; ICI; Novophone; Protogen; Sulfadione; Sulfanona-mae; Sulfona; sulfona-mae; sulfon-mere; sulfone UCB; Sulfonyldianiline; Sumicure S; tarimyl; Udolac; W R 448. > 80-08-0 > NTP20 > 248.30 > C12H12N2O2S > O=S(=O)(C1=CC=C(C=C1)N)C2=CC=C(C=C2)N > 22.4 > NP > 3 > 1 > 3 > 1 > 1 > 1 > ND > ND > ND > ND $$$$ 176 18 19 0 0 0 0 0 0 0 0 1 V2000 1.1525 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4574 -1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 -2.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4574 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 -1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6099 -2.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6099 -3.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4574 -4.6479 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7624 -4.6479 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7624 -1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7624 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0673 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0673 -1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9149 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9149 -2.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2198 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 M END > 176 > p,p'-DDE > 1,1-dichloro-2,2-bis(p-chlorophenyl)ethylene; 2,2-bis(p-chlorophenyl)-1,1-dichloroethene; 2,2-bis(4-chlorophenyl)-1,1-dichloroethylene; p,p'-dichlorodiphenyl dichloroethylene; P,P'-DICHLORODIPHENYLDIC HLOROETHYLENE (DDE); p,p'-Dichlorodiphenyldichloroethylene (DDE) ; p,p-DDE; 4,4'-DDE; p,p[-DDE; Dichlorodiphenyldichloroethylene; DDE; ddt dehydrochloride. > 72-55-9 > NTP131 > 318.03 > C14H8Cl4 > ClC(=C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)Cl > NP > 12.5 > 3 > 1 > 1 > 1 > 3 > 3 > ND > ND > ND > ND $$$$ 177 23 24 0 0 0 0 0 0 0 0 1 V2000 31.0566 -11.9090 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6218 -13.0995 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9033 -12.1813 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1966 -10.7954 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0686 -13.2365 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8678 -10.7353 0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0300 -9.0312 0.0800 Br 0 0 0 0 0 0 0 0 0 0 0 0 29.1653 -11.7514 0.0366 Br 0 0 0 0 0 0 0 0 0 0 0 0 30.5316 -14.6551 -0.0371 Br 0 0 0 0 0 0 0 0 0 0 0 0 33.7606 -14.9964 -0.0772 Br 0 0 0 0 0 0 0 0 0 0 0 0 35.3454 -12.6501 -0.0308 O 0 0 0 0 0 0 0 0 0 0 0 0 33.9486 -9.1084 0.0698 Br 0 0 0 0 0 0 0 0 0 0 0 0 36.7891 -12.1854 -0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6201 -13.2435 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 39.6366 -11.9223 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8298 -10.7457 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0672 -13.1112 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5009 -10.8012 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7559 -9.1108 -0.0773 Br 0 0 0 0 0 0 0 0 0 0 0 0 39.6742 -9.0441 -0.0002 Br 0 0 0 0 0 0 0 0 0 0 0 0 41.5281 -11.7708 0.0584 Br 0 0 0 0 0 0 0 0 0 0 0 0 40.1519 -14.6706 0.0317 Br 0 0 0 0 0 0 0 0 0 0 0 0 36.9220 -15.0014 -0.0168 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 11 1 0 0 0 0 4 6 2 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 17 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 M END > 177 > Decabromodiphenyl Oxide > 1,1'-oxybis(2,3,4,5,6-pentabromobenzene); berkflam b 10E; bis(pentabromophenyl) ether; BR 55N; bromkal 82-ode; bromkal 83-10de; DE 83R; DBDPO; Decabromodiphenyl ether; Decabromodiphenyl ether; DPBPO; FR 300; fr 300ba; FRP 53; Pentabromodiphenyl ether; pentabromophenyl ether; saytex 102; saytex 102E; tardex 100. > 1163-19-5 > NTP309 > 959.17 > C12Br10O > BrC1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br > 3340 > NP > 3 > 1 > 3 > 3 > 2 > 1 > SE > SE > EE > NE $$$$ 178 10 10 0 0 0 0 0 0 0 0 1 V2000 2.6640 -2.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9916 -3.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6597 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6597 -3.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9916 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 M END > 178 > 2,4-diaminoanisole > 2,4-Diaminoanisole, 90%; 2,4-DAA; 4-methoxy-1,3-Benzenediamine; 4-methoxy-m-phenylendiamine; 4 Methoxy meta phenylenediamine; 4-MMPD; C.I. 76050; C.I. Oxidation Base 12. > 615-05-4 > NTP84 > 138.17 > C7H10N2O > C1=CC(=CC(=C1OC)N)N > 183 > 906 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 179 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0040 -2.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3625 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2856 -3.4309 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2901 -2.0490 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1948 -4.0561 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2032 -1.4173 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4332 -1.3938 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -5.3737 0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2065 -0.0000 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 M END > 179 > 2,4-diaminotoluene > 1,3-diamino-4-methylbenzene; 2,4-diamino-1-methylbenzene; developer mtd; developer t; eucanine gb; fouramine; fouramine j; fourrine 94; fourrine m; MTD; nako tmt; pelagol grey j; pelagol j; pontamine developer tn; renal md; Toluene-2,4-Diamine; toluenediamine; tolylene-2,4-diamine; Tertral g; zoba gke; zogen developer h; 2,4-diamino-1-toluene; 2,4-diaminotoluol; 2,4-toluenediamine; 3-amino-p-tolui dine; 4-Methyl-1,3-benzenediamine; 4-methyl-m-phenylenediamine; 4-Methylphenylene-1,3-diamine; 5-amino-o-toluidine; azogen developer h; benzofur mt; Diaminotoluene, 2,4-; C.I. 76035; C.I. oxidation ba se; C.I. oxidation base 20; C.I. oxidation base 200; C.I. oxidation base 35; developer 14; developer b; developer db; developer dbj; developer mc; developer mt; developer mt-cf. > 95-80-7 > NTP162 > 122.17 > C7H10N2 > NC1=C(C=CC(=C1)N)C > 2.47 > 26.7 > 3 > 3 > 3 > 3 > 1 > 3 > ND > ND > ND > ND $$$$ 180 16 18 0 0 0 0 0 0 0 0 1 V2000 1.9880 -4.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3296 -3.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3176 -4.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9888 -3.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3176 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9888 -1.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3183 -3.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9768 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3183 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3064 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9775 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9768 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3064 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3071 -1.1523 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4569 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 M END > 180 > 2,7-dichlorodibenzo-p-dioxin > 2,7-dichloro-p-dioxin; 2,7-dichlorodibenzo[b,e][1,4]dioxin; 2,7-dichlorodibenzodioxin; DCDD. > 33857-26-0 > NTP123 > 253.08 > C12H6Cl2O2 > ClC1=CC2=C(C=C1)OC3=C(C=CC(=C3)Cl)O2 > NP > NP > 2 > 1 > 1 > 1 > 2 > 1 > ND > ND > ND > ND $$$$ 181 20 21 0 0 0 0 0 0 0 0 1 V2000 1.3297 -1.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 -0.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9891 -1.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 -2.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 -0.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 -2.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3297 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3189 -1.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3189 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6486 -1.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3071 -0.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3080 -1.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6368 -2.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6368 -0.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3071 -2.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6377 -1.3297 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3189 -2.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3189 -3.9891 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9891 -2.6594 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6486 -2.6594 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 M END > 181 > Dicofol > 1,1-Bis-(p-chlorophenyl)-2,2,2-trichloroethanol; 1,1-bis-(chlorophenyl)-2,2,2-trichloroethanol; 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol; 4,4'-Dichloro-alpha-(trichloromethyl)benzhydrol; p,p'-Di cofol; para,para'-kelthane; 4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol; Acarin; di-(p-chlorophenyl)trichloromethylcarbinol; dichlorokelthane; Bis(chlorophenyl)-2,2,2-trichl oroethanol; carbax; Carbox; Cekudifol; CPCA; Decofol; DTMC; FW 293; Hifol; hilfol 18.5 ec; keltane; Kelthane; kelthane a; kelthanethanol; Mifol; Milbol; Mitigan. > 115-32-2 > NTP90 > 370.49 > C14H9Cl5O > OC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl > NP > 32.9 > 3 > 1 > 1 > 1 > 3 > 1 > ND > ND > ND > ND $$$$ 182 8 7 0 0 0 0 0 0 0 0 1 V2000 3.9887 -1.1523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6598 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9894 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6711 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0007 -2.3046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6591 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0007 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 M END > 182 > N,N'-diethylthiourea > 1,3-Diethyl-2-thiourea; 1,3-diethylthiourea; Diethyl-2-thiourea; Diethylthiourea; N,N'-diethylthiocarbamide; pennzone e; thiate h. > 105-55-5 > NTP149 > 132.22 > C5H12N2S > S=C(NCC)NCC > 24 > NP > 3 > 1 > 3 > 3 > 1 > 1 > ND > ND > ND > ND $$$$ 183 22 23 0 0 0 0 0 0 0 0 1 V2000 2.6591 -2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3302 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3182 -2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6597 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6597 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3302 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3295 -2.3045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6591 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6477 -2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3188 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3068 -2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6484 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6484 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3188 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6363 -2.3045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3068 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6711 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3075 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9659 -4.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3295 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6363 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 9 1 0 0 0 0 4 6 2 0 0 0 0 7 17 2 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 14 2 0 0 0 0 13 16 1 0 0 0 0 15 19 2 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 19 20 2 0 0 0 0 M END > 183 > 3,3'-dimethoxy-4,4'-biphenylene diisocyanate > 3,3'-Bianisole-4,4'-Isocyanicacid Ester - Carc.; 3,3'-Dimethoxybiphenyl-4,4'-diisocyanate; 4,4'-diisocyanato-3,3'-dimethoxy-1,1'-biphenyl; dianisidine diisocyanate; isocyanic acid, 3,3'-dimethoxy-4,4' -biphenylene ester. > 91-93-0 > NTP128 > 296.28 > C16H12N2O4 > COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O > 1630 > NP > 3 > 3 > 3 > 3 > 1 > 1 > ND > ND > ND > ND $$$$ 184 12 12 0 0 0 0 0 0 0 0 1 V2000 5.3218 -2.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9913 -2.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3261 -1.3304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9913 -0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3218 -0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 -1.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 -1.3304 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 -2.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6652 -1.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 -3.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 M END > 184 > Dimethyl morpholinophosphoramidate > 4-morpholinylphosphonic acid dimethyl ester; dimethyl 4-morpholinylphosphonate; dimethyl morpholinophosphonate; DMMPA; hc 1717; morpholinophosphonic acid dimethyl ester. > 597-25-1 > NTP298 > 195.15 > C6H14NO4P > P(=O)(OC)(OC)N1CCOCC1 > 614 > NP > 3 > 1 > 3 > 3 > 1 > 1 > SE > SE > NE > NE $$$$ 185 6 6 0 0 0 0 0 0 0 0 1 V2000 2.3043 -0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3043 -1.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1454 -2.6547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1454 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 M END > 185 > 1,4-Dioxane > 1,4-diethylene dioxide; 1,4-Diethyleneoxide; 1,4-Dioxacyclohexane; p-dioxane; Diethylene dioxide; diethylene ether; diethylene oxide; diokan; Diox; Dioxane; Dioxane, 1,4-; Dioxyethylene ether; DuPont Zonyl FSO-100 Fluorinated Surfactants; ethylene glycol ethylene ether; glycol ethylene ether8; Tetrahydro-1,4-dioxin; Tetrahydro-p-dioxin. > 123-91-1 > NTP80 > 88.11 > C4H8O2 > C1COCCO1 > 334 > 838 > 3 > 1 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 186 52 57 0 0 0 0 0 0 0 0 2 V2000 17.2892 -3.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9605 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2904 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9605 -4.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3299 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0012 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9898 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0012 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9898 -3.4578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3197 -1.1526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 -2.3052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3210 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9796 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9809 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3096 -3.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3096 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9796 -3.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3108 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9694 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9707 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2994 -3.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2994 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9694 -3.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3006 -2.3052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9592 -3.4578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2904 -4.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9491 -3.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9503 -4.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2790 -5.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2790 -3.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9491 -5.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9503 -6.9030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2802 -6.9030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9389 -8.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2688 -8.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2688 -10.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9389 -10.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9401 -9.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2802 -9.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2892 -5.7631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2892 -1.1526 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 23.2802 -4.6104 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.4418 -0.4813 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 24.6102 -4.6104 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.6305 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1366 -1.8112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2802 -5.9404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2802 -3.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2904 -6.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 44 1 0 0 0 0 3 30 2 0 0 0 0 4 29 2 0 0 0 0 4 43 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 20 2 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 24 26 2 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 29 34 1 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 31 45 1 0 0 0 0 32 34 2 0 0 0 0 32 35 1 0 0 0 0 34 52 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 42 1 0 0 0 0 38 41 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 40 42 2 0 0 0 0 44 46 1 0 0 0 0 44 48 2 0 0 0 0 44 49 2 0 0 0 0 45 47 1 0 0 0 0 45 50 2 0 0 0 0 45 51 2 0 0 0 0 M CHG 2 46 -1 47 -1 M END > 186 > C.I. Direct Black 38 > meta black; 4-amino-3-[[4'-[(2,4-diaminophenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)-2,7-Naphthalenedisulfonic acid, disodium salt; chrome leather black e; C.I. 30235; C.I. direct blac k 38, disodium salt; coir deep black c; columbia black ep; erie black b; fenamin black e; formic black c; interchem direct black z; kayaku direct deep black ex; mitsui direct black ex; nippon deep bla ck; paper black t; pheno black ep; pontamine black e; tetrazo deep black g; tetrodirect black e; union black em; vondacel black n; paramine black b; ahco direct black gx; airedale black ed; aizen dire ct deep black eh; aizen direct deep black gh; amanil black gl; atlantic black bd; Azo Black; azomine black ewo; diacotton deep black; diamine deep black ec; diazine black e; Direct Black Meta; Direct Black 38; direct black a; direct black e; direct black methyl; direct deep black e; black 2EMBL; brilliant chrome leather black h; calcomine black exl; chloramine black c; chloramine carbon black s; c hlorazol black e. > 1937-37-7 > NTP108 > 781.76 > C34H25N9O7S2 > [Na+].[O-]S(=O)(=O)c4c(/N=N/c3ccc(c2ccc(/N=N/c1ccc(N)cc1N)cc2)cc3)c(N)c6c(c4)cc(c(/N=N/c5ccccc5)c6O)S([O-])(=O)=O.[Na+] > 1.39 > NP > 3 > 3 > 3 > 3 > 1 > 1 > ND > ND > ND > ND $$$$ 187 56 61 0 0 0 0 0 0 0 0 2 V2000 20.6018 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2729 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6025 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2729 -4.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3176 -5.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6591 -4.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3176 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6471 -5.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3182 -4.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6471 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6478 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3062 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3182 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6478 -4.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3182 -6.9137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3296 -4.6091 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3062 -5.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3062 -1.1523 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6358 -3.4568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3069 -2.3046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3296 -3.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3296 -5.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4585 -1.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1540 -0.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6091 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9773 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.6365 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2949 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2956 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6245 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6245 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2949 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6251 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2836 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2842 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6131 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6131 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2836 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6138 -2.3046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2722 -3.4568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6025 -4.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2609 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2616 -4.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5905 -5.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5905 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2609 -5.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6018 -5.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6025 -6.9137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.5911 -4.6091 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.6018 -1.1523 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.9434 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 27.9207 -4.6091 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 21.7541 -0.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4495 -1.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5911 -3.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5911 -5.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 50 1 0 0 0 0 3 42 2 0 0 0 0 4 41 2 0 0 0 0 4 47 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 14 17 1 0 0 0 0 16 21 2 0 0 0 0 16 22 2 0 0 0 0 16 25 1 0 0 0 0 18 23 2 0 0 0 0 18 24 2 0 0 0 0 18 26 1 0 0 0 0 19 20 2 0 0 0 0 20 27 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 29 33 1 0 0 0 0 30 32 2 0 0 0 0 33 34 2 0 0 0 0 33 38 1 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 35 39 1 0 0 0 0 36 38 2 0 0 0 0 39 40 2 0 0 0 0 41 42 1 0 0 0 0 41 46 1 0 0 0 0 42 45 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 43 49 1 0 0 0 0 44 46 2 0 0 0 0 46 48 1 0 0 0 0 49 52 1 0 0 0 0 49 55 2 0 0 0 0 49 56 2 0 0 0 0 50 51 1 0 0 0 0 50 53 2 0 0 0 0 50 54 2 0 0 0 0 M CHG 4 25 -1 26 -1 51 -1 52 -1 M END > 187 > C.I. Direct Blue 6 > 3,3'-((4,4'-biphenylylene)bis(azo))bis(5-amino-4-hydroxy)-2,7-naphthalene-disulfonic acid tetrasodium salt; C.I. 22610; sodium diphenyl-4,4'-bis-azo-2''-8''-amino-1''-naphthol-3'',6''-disulfonate; air edale blue 2bd; aizen direct blue 2bh; amanil blue 2bx; atlantic blue 2b; atul direct blue 2b; azocard blue 2b; azomine blue 2b; belamine blue 2b; bencidal blue 2b; benzanil blue 2b; benzo blue bba-cf ; blue 2b; brazilamina blue 2b; calcomine blue 2b; chloramine blue 2b; chlorazol blue b; chrome leather blue 2b; cresotine blue 2b; diacotton blue bb; diamine blue 2b; diaphtamine blue bb; diazine blu e 2b; diazol blue 2b; diphenyl blue 2b; direct blue a; direct blue 2b; direct blue bb; direct blue gs; direct blue k; enianil blue 2bn; fenamin blue 2b; fixanol blue 2b; hispamin blue 2b; vondacel blu e 2b; pontamine blue bb; tertrodirect blue 2b; indigo blue 2b; mitsui direct blue 2bn; naphtamine blue 2b; niagara blue 2b; nippon blue bb; paramine blue 2b; phenamine blue bb; pheno blue 2b; C.I. Dir ect blue 6, tetrasodium salt; Direct Blue 6; DIRECT BLUE. > 2602-46-2 > NTP108 > 932.81 > C32H20N6O14S4 > [Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(cc(N)c1c(O)c6/N=N/c2ccc(cc2)c5ccc(/N=N/c4c(cc3cc(cc(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5)S([O-])(=O)=O.[Na+].[Na+] > 1.73 > NP > 3 > 3 > 3 > 3 > 1 > 1 > ND > ND > ND > ND $$$$ 188 48 54 0 0 0 0 0 0 0 0 2 V2000 5.1806 -25.2428 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5012 -25.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0345 -26.6014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2757 -24.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7424 -23.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5170 -22.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9837 -20.7986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7582 -19.7193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 -18.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9044 -18.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3584 -17.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1329 -16.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4662 -16.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9995 -17.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5996 -14.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2791 -14.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7331 -13.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5203 -12.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9743 -11.1993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6538 -11.0596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1078 -9.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7872 -9.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -10.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2413 -8.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0285 -7.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 -7.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3395 -6.6662 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3395 -5.3330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4949 -4.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4949 -3.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6377 -2.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 -3.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 -4.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6377 -5.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6377 -6.6662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4949 -7.3265 0.0000 Cu 0 0 0 0 0 0 0 0 0 0 0 0 4.2156 -8.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -8.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6377 -1.3332 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9710 -1.3332 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6377 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3172 -1.3332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8409 -12.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3742 -13.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8502 -22.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3835 -23.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6090 -24.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1423 -25.6618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 47 2 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 44 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 43 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 38 2 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 27 28 2 0 0 0 0 27 36 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 39 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 39 42 2 0 0 0 0 43 44 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 3 1 -1 27 1 40 -1 M END > 188 > C.I. Direct Brown 95 > paranol fast brown brl; [5-[[4'-[[2,5-dihydroxy-4-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxybenzoato(2-)]copper, disodium salt; aizen primula brown brlh; amanil fast brown brl; atlantic fast brown brl; belamine fast brown brll; benzanil supra brown brln; dialuminous brown brs; diazine fast brown rsl; diazol light brown brn; diphenyl fast brown brl; Direct Brown 95 ; direct brown brl; direct fast brown brl; direct fast brown lmr; direct light brown brs; direct supra light brown ml; brown 4EMBL; calcodur brown brl; chloramine fast brown brl; chrome leather brown brll; chrome leather brown brsl; C.I. 30145; C.I. direct brown; Cuprate(2-), [5-[[4'-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-2hydroxybenzoato(4-)]-, disodi um; cuprofix brown gl; Derma fast brown dye; dermafix brown pl; durofast brown brl; eliamina light brown brl; enianil light brown brl; fastusol brown lbrsa; helion brown brsl; Ismafast Brown Brsl; kca light fast brown br; saturn brown lbr; solar brown pl; tetramine fast brown brp; triantine fast brown or; triantine light brown brs; triantine light brown og. > 16071-86-6 > NTP108 > 760.11 > C31H18CuN6O9S > [Na+].[O-]C(=O)c7cc(N=Nc1ccc(cc1)c6ccc(N=Nc4c(O)ccc5N3=Nc2cc(ccc2O[Cu]3Oc45)S([O-].[Na+].)(=O)=O)cc6)ccc7O > 2.07 > NP > 3 > 3 > 1 > 3 > 1 > 1 > ND > ND > ND > ND $$$$ 189 20 22 0 0 0 0 0 0 0 0 1 V2000 7.0387 -3.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0371 -1.9644 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9396 -3.9955 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9368 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7284 -3.3001 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7275 -2.0294 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5179 -1.3327 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5194 -3.9982 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 -3.3010 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3088 -2.0320 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9726 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -3.3662 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0978 -1.3356 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1019 -4.0004 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0947 -0.0044 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1005 -5.3319 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5163 -0.1535 0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5223 -5.1766 0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9374 -0.0000 0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9429 -5.3262 0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 7 17 2 0 0 0 0 8 9 1 0 0 0 0 8 18 2 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 M END > 189 > C.I. Disperse Blue 1 > 1,4,5,8-Tetraamino-9,10-anthracenedione; 1,4,5,8-tetraamino-9,10-anthraquinone; 1,4,5,8-Tetraaminoanthraquinone; 1,4,5,8-tetraminoanthraquinone; acetate blue g; acetoquinone blue l; acetoquinone blue r; acetylon fast blue g; amacel blue gg; amacel pure blue b; artisil blue sap; diacellition fast blue r; Disperse Blue 1; disperse blue no. 1; brasilazet blue gr; celanthrene pure blue brs; celliton b lue bb-cf; celliton blue extra; celliton blue g; celliton blue ga-cf; C.I. 64500; cibacet sapphire blue g; cilla blue extra; C.I. Solvent Blue 18; duranol brilliant blue cb; fenacet blue g; grasol blu e 2gs; kayalon fast blue br; microsetile blue eb; miketon fast blue; miketon fast blue b; nacelan blue g; neosetile blue eb; nyloquinone blue 2j; oracet sapphire blue g; perliton blue b; serinyl blue 2g; serinyl blue 3g; serinyl blue 3gn; setacyl blue 2gs; setacyl blue 2gs ii; supracet brilliant blue 2gn; supracet deep blue r. > 2475-45-8 > NTP299 > 268.27 > C14H12N4O2 > O=C1C2=C(C(=CC=C2N)N)C(=O)C3=C(C=CC(=C13)N)N > 156 > NP > 3 > 3 > 3 > 3 > 2 > 1 > CE > CE > EE > NE $$$$ 190 8 7 0 0 0 0 0 0 0 0 1 V2000 5.7453 -1.3288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6064 -1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4548 -1.3288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 -1.9995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1516 -1.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1516 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6064 -3.3282 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 M END > 190 > 2,5-Dithiobiurea > 1,2-Hydrazine-o-dicarbothioamide; 1,2-Hydrazine carbothioamide; 1,2-Hydrazinedicarbothioamide; 2,5-dithiourea; Dithiobiurea; Dithiocarbamoyl hydrazine; bisthiocarbamyl hydrazine; bis(thiourea). > 142-46-1 > NTP132 > 150.22 > C2H6N4S2 > NC(=S)NNC(=S)N > NP > NP > 2 > 1 > 1 > 1 > 1 > 2 > ND > ND > ND > ND $$$$ 191 29 28 0 0 1 0 0 0 0 0 1 V2000 9.2739 -1.1545 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1321 -1.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4284 -0.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9463 -2.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6142 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5486 -7.6754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8575 -6.3433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8575 -7.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6904 -8.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6904 -9.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0120 -8.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8575 -10.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5486 -10.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0120 -5.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8575 -11.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5486 -11.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6904 -12.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2963 -3.8694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2963 -5.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1545 -5.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1545 -7.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4508 -5.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2963 -7.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -7.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4508 -3.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2963 -9.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -9.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1545 -9.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 9 6 1 1 0 0 0 8 7 1 1 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 21 18 1 1 0 0 0 20 19 1 1 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 M END > 191 > Ephedrine sulfate > 1-alpha-(1-(methylamino)ethyl)benzyl alcohol sulfate; 1-phenyl-2-methylamino-propanol-1-sulfate; 1-Phenyl-2-(methylamino)propanol sulfate; (-)-ephedrine sulfate; (-)-ephedrine sulfate (2:1) (salt); is ofedrol; L-ephedrine sulfate; (R-(R*,S*))-alpha-(1-(methylamino)ethyl)benzenemethanol sulfate (2:1) (salt). > 134-72-5 > NTP307 > 428.54 > C20H32N2O6S > O=S(=O)(O)O.O[C@@H](c1ccccc1)[C@H](N[C@@H3])[C@H3].O[C@@H](c1ccccc1)[C@H](N[C@@H3])[C@H3] > NP > NP > 1 > 1 > 1 > 1 > 1 > 1 > NE > NE > NE > NE $$$$ 192 20 21 0 0 0 0 0 0 0 0 1 V2000 3.4436 -2.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2915 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2915 -2.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5957 -2.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5957 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4436 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1394 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7478 -2.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7478 -3.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8999 -2.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5957 -4.6590 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8999 -4.6590 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8999 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2041 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2041 -2.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 -2.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3562 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5083 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 19 20 1 0 0 0 0 M END > 192 > p,p'-Ethyl-DDD > 1,1'-(2,2-dichloroethylidene)bis(4-ethylbenzene); 1,1-bis(p-ethylphenyl)-2,2-dichloroethane; 1,1-dichloro-2,2-bis(p-ethylphenyl)ethane; 2,2-bis(p-ethylphenyl)-1,1-dichloroethane; 2,2-dichloro-1,1-bis( p-ethylphenyl)ethane; 2,2-dichloro-bis(p-ethylphenyl)ethane; p,p-ethyl ddd; alpha,alpha-dichloro-2,2-bis(p-ethylphenyl)ethane; Bis(p-ethylphenyl)-2,2-dichloroethane; di(p-ethylphenyl)dichloroethane; D iethyldiphenyl dichloroethane; ethylan; perthane; Q-137. > 72-56-0 > NTP156 > 307.26 > C18H20Cl2 > ClC(C(C1=CC=C(C=C1)CC)C2=CC=C(C=C2)CC)Cl > NP > NP > 2 > 3 > 1 > 1 > 1 > 2 > ND > ND > ND > ND $$$$ 193 16 16 0 0 0 0 0 0 0 0 1 V2000 4.0145 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6790 -1.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -2.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0072 -1.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -2.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0072 -3.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6646 -1.1664 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0082 -1.1664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6863 -2.3192 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.5199 -2.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3508 -3.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5199 -4.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5272 -4.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8391 -1.6546 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 M END > 193 > Fenthion > O,O-dimethyl O-3-methyl-4-methylthiophenyl phosphorothioate; O,O-dimethyl O-(3-methyl-4-methylthiophenyl) thiophosphate; Lebaycid(R); Lebayeid; Mercaptofos; Cresol, 4-(methylthio)-, O-ester with O,O-d imethyl phosphorothioate; Mosquitocide 700; MPP; OMS 2; Phosphorothioic acid O,O-dimethyl O-[3-methyl-4-(methylthio)phenyl]ester; phosphorothioic acid O,O-dimethyl O-(4-methylthio)-m-tolyl ester; Quel etox; Rid-a-Bird; S 1752; Spotten; spotton; Talodex; Thiophos; Tiguvon; O,O-dimethyl O-(4-methylmercapto-3-methylphenyl) thionophosphate; O,O-dimethyl O-4-(methylmercapto)-3-methylphenyl phosphorothio ate; O,O-dimethyl O-(4-methylthio-3-methylphenyl) thiophosphate; O,O-dimethyl-O-[4-(methylthio)-m-tolyl] phosphorothioate; m-cresol, 4-(methylthio)-, O-ester with O,O-dimethyl phosphorothioate; 4-Meth ylmercapto-3-methylphenyl dimethyl thiophosphate; b 29493; bay 29493; Baycid; bayer 29493; bayer 9007; bayer s-1752; Baytex; Dimethyl O-(3-methyl-4-(methylthio)phenyl) thiophosphate; Dimethyl O-((4-me thylmercapto)-3-methylphenyl)thionophosphate; Dimethyl O-(4-(methylthio)-m-tolyl) phosphorothioate; Dimethyl (3-methyl-4-(methylthio)phenyl) phosphorothionate; Dimethyl methylthiotolyl phosphorothioat e; BX-1; BX-2; DMTP; Entex; Lebaycid. > 55-38-9 > NTP103 > 278.32 > C10H15O3PS2 > S=P(OC1=CC(=C(C=C1)SC)C)(OC)OC > NP > NP > 2 > 1 > 1 > 1 > 2 > 1 > ND > ND > ND > ND $$$$ 194 16 16 0 0 0 0 0 0 0 0 1 V2000 3.4554 -0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6029 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7632 -1.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6029 -2.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7632 -0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4554 -1.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6029 -3.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6029 -5.3170 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2769 -3.9909 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9418 -3.9909 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3078 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 -0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 -1.9891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3078 -2.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 M END > 194 > Fluometuron > 1,1-dimethyl-3-(3-trifluoromethylphenyl)urea; 1,1-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl) urea; 3-(m-Trifluoromethyl-phenyl)-1,1-Dimethyl urea; Dimethyl-3-(a,a,a-trifluoro-m-tolyl)urea; C 205 9; ciba 2059; Cortoran; Cotoran; Cotoran 4L; Cotoran 80W; Cotoran 80WP; Cottenex; Cottonex; Flumeturon; Fluometuraon; herbicide c-2059; Lanex; Meturon 4L; N-(m-trifluoromethylphenyl)-N',N'-dimethylure a; N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]urea; pakhtaran; Urea, N'-(3-(trifluoromethyl)phenyl)-N,N-dimethyl-. > 2164-17-2 > NTP195 > 232.20 > C10H11F3N2O > O=C(NC1=CC=CC(=C1)C(F)(F)F)N(C)C > NP > NP > 2 > 1 > 1 > 1 > 2 > 1 > ND > ND > ND > ND $$$$ 195 17 19 0 0 0 0 0 0 0 0 1 V2000 2.2718 -3.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2718 -1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0249 -2.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 -3.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 -1.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4015 -3.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4015 -1.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -1.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 -2.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -3.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2718 -5.2466 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2718 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1546 -1.9706 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1546 -3.2760 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9286 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3179 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0457 -4.9328 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 7 1 0 0 0 0 2 5 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 17 1 0 0 0 0 M END > 195 > Heptachlor > 1(3a),4,5,6,7,8,8-heptachloro-3a(1),4,7,7a-tetrahydro-4,7-methanoindene; 1,4,5,6,7,10,10-heptachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindene; Velsicol 104; velsicol heptachlor; 1,4,5,6,7,10,10-hept achloro-4,7,8,9-tetrahydro-4,7-methyleneindene; 1,4,5,6,7,8,8a-heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene; 1,4,5,6,7,8,8-heptachloro-3a,4,7,7,7a-tetrahydro-4,7-methyleneindene; 1,4,5,6,7,8,8-h eptachloro-3a,4,7,7a-tetrahydro-4,7-endomethanoindene; 1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-Tetrahydro-4,7-Methano-1H-Indene; 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene; 1H-1,4,5, 6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene; 3,4,5,6,7,8,8a-Heptachlorodicyclopentadiene; 3-Chlorochlordene; 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-3-methyl-4,7-Methano-1H-ind ene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-6,9-methano-2,4,3-benzodioxathiepin; agroceres; drinox H-34; E 3314; Hepta; heptachlorane; Heptachlorotetrahydro-4,7-methanoindene; Heptagran; hepta klor; Heptamul; heptox; Rhodiachlor; Tetrahydro. > 76-44-8 > NTP9 > 373.32 > C10H5Cl7 > ClC1/C=C\C2C3(Cl)C(\Cl)=C(\Cl)C(Cl)(C12)C3(Cl)Cl > NP > 1.21 > 3 > 1 > 1 > 2 > 3 > 3 > ND > ND > ND > ND $$$$ 196 8 7 0 0 0 0 0 0 0 0 1 V2000 43.0320 -66.8504 0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5496 -65.4128 1.0696 Cl 0 0 0 0 0 0 0 0 0 0 0 0 42.1071 -66.9392 -1.3389 Cl 0 0 0 0 0 0 0 0 0 0 0 0 42.7203 -68.2926 1.1346 Cl 0 0 0 0 0 0 0 0 0 0 0 0 44.5322 -66.7688 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8439 -65.3266 -1.1351 Cl 0 0 0 0 0 0 0 0 0 0 0 0 45.0146 -68.2064 -1.0700 Cl 0 0 0 0 0 0 0 0 0 0 0 0 45.4571 -66.6801 1.3385 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > 196 > Hexachloroethane > 1,1,1,2,2,2-hexachloroethane; avlothane; distokal; distopan; distopin; carbon hexachloride; egitol; ethane hexachloride; ethylene hexachloride; falkitol; fasciolin; HCE; mottenhexe; perchloroethane; p henohep. > 67-72-1 > NTP68 & NTP361 > 236.74 > C2Cl6 > ClC(C(Cl)(Cl)Cl)(Cl)Cl > 55.4 > 338 > 3 > 1 > 3 > 1 > 3 > 3 > CE > NE > ND > ND $$$$ 197 14 15 0 0 0 0 0 0 0 0 1 V2000 1.1527 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 -0.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 -2.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 -2.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4582 -2.6602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6110 -2.0015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7637 -2.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9164 -2.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0692 -3.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9164 -4.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0692 -2.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7637 -3.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 M END > 197 > Hydrazobenzene > 1,1'-hydrazodibenzene; 1,2-Diphenyldrazine; 1,2-Diphenylhydrazine; Diphenylhydrazine, 1,2-; DPH; hydrazodibenzene; N,N'-Bianiline; N,N'-diphenylhydrazine; (sym)-diphenylhydrazine. > 122-66-7 > NTP92 > 184.24 > C12H12N2 > N(C1=CC=CC=C1)NC2=CC=CC=C2 > 5.59 > 26 > 3 > 3 > 3 > 3 > 1 > 3 > ND > ND > ND > ND $$$$ 198 10 10 0 0 0 0 0 0 0 0 1 V2000 3.1581 -2.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4859 -3.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -3.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4946 -2.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -1.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4859 -1.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4946 -4.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 -2.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 M END > 198 > Isophorone > 1,1,3-trimethyl-3-cyclohexene-5-one; 1,5,5-Trimethyl-1-cyclohexen-3-one; 3,5,5-Trimethyl-2-cyclohexen-1-one; 3,5,5-Trimethyl-2-Cyclohexenone; 3,5,5-Trimethylcyclohex-2-enone; 3,5,5-Trimethylcyclohexen one; Alpha-isophorone; Isoacetophorone; isoforon. > 78-59-1 > NTP291 > 138.21 > C9H14O > CC1(CC(=CC(=O)C1)C)C > 1210 > NP > 3 > 1 > 3 > 1 > 2 > 1 > SE > NE > EE > NE $$$$ 199 29 30 0 0 0 0 0 0 0 0 1 V2000 4.2312 -3.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5019 -4.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5189 -5.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2509 -4.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2679 -5.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0864 -6.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1034 -5.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3741 -4.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6590 -3.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6760 -2.3507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4081 -2.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4251 -1.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1627 -1.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0202 -2.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1145 -2.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4591 -0.9972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3424 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5533 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 -2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0777 -4.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6848 -4.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9555 -3.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9812 -5.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3999 -6.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8355 -6.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5648 -7.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7895 -6.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9802 -3.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 28 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 20 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 19 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 26 27 1 0 0 0 0 M END > 199 > Lasiocarpine > 2,3,5,7alphabeta-tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol-1-angelate-7-(2,3-dihydroxy)-2- (1-methoxyethyl)-3-methylbutyrate; 2-methyl-2-Butenoic acid, [1S-[1alpha(Z),7(2S*,3R*),7alpha]]-7-[[2,3- dihydroxy-2-(1-methoxyethyl)-3-methyl-1-oxobutoxy]methyl]-2,3,5,alpha-tetrahydro-1H-pyrrolizin-1-yl ester; 2-methyl-2-butenoic acid 7-((2,3-dihydroxy-2-(1-methoxyethyl)-3-methyl-1-oxobutoxy)methyl)-2, 3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester; (7alpha-angelyloxy-5,6,7,8alpha-tetrahydro-3H-pyrrolizin-1-yl)methyl-2,3-dihydroxy-2-(1'-methoxyethyl)-3-methylbutyrate; heliotridine ester with lasiocarpum and angelic acid; stereoisomer of 7-(2,3-dihydroxy-2-(1-methoxyethyl)-3-methyl-1-oxobutoxy)-methyl-2,3,5,7alpha-tetrahydro-1H-pyrrolizin-1-yl-2-methyl-2-butenoate; (Z)-2-methylcrotonic acid 2,3-dihyd roxy-2-(1-methoxyethyl)-3-methylbutyrate (ester). > 303-34-4 > NTP39 > 411.49 > C21H33NO7 > CO[CH](C)[C](O)(C(=O)OCC1=CCN2CC[CH](OC(=O)C(C)=CC)[CH]12)C(C)(C)O > 0.476 > ND > 3 > 3 > 3 > 3 > ND > ND > ND > ND > ND > ND $$$$ 200 12 12 0 0 0 0 0 0 0 0 1 V2000 2.2934 -4.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -3.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -2.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2934 -1.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4478 -2.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4478 -3.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6022 -4.0019 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6022 -1.3391 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2934 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3391 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.0019 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2934 -5.3257 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 M END > 200 > Lindane > gamma-HCH; gamma-1,2,3,4,5,6-Hexachlorocyclohexane; 1,2,3,4,5,6-hexachlorocyclohexane (1alpha,2alpha,3beta,4alpha,5alpha,6beta); BHC; Hexachlorane; 1,2,3,4,5,6-Hexachlorocyclohexane gamma isomer; Isot ox; Benzene hexachloride; gamma BHC; gamma-hexachlorocyclohexane; 1,2,3,4,5,6-hexachlorocyclohexane; Benhexachlor; Kwell-R; gamma-BHC Benhexachlor; (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5, 6-hexachlorocyclohexane; Benzex; Gammexane; Gexane; Jacutin; Kwell; 1alpha,2alpha,3beta,4alpha,5alpha,6beta-Hexachlorocyclohexane; gamma-benzene hexachloride; gamma hexachlor; Aparasin; Aphtitria; Eso derm; Gammalin; Gamene; Gamiso; Hexachlorocyclohexane, gamma-isomer; Borer Spray; verindal ultra; Viton; spritzlindane; streunex; TAP 85; TRI-6; Nexit; neo-scabicidol; nexen-fb; nexol-e; novigam; nexi t-stark; nicochloran; pedraczak; omnitox; ovadziak; pflanzol; PLK; owadziak; quellada; Sang gamma; silvanol; gamma-hexachlorane; gamma-hexachlorobenzene; hecoltox; hexatox; hexaverm; hexicide; hilbeec h; hexyclan; HGI; hortex; hungaria l7; inexit; kokotine; lasochron; lendine; lentox; lidenal; lindafor; lindagam; lindagrain; lindagranox; lindapoudre; lindex; linvur; mglawik l; gammopaz; gamma-linda ne; lindosep; lintox; lorexane; milbol 49; mszycol; aficide; aalindan; agrisol g-20; agrocide; agrocide 2; agrocide 6g; agrocide 7; agrocide wp; agrocide iii; agronexit; aphtiria; arbitex; aplidal; am eisenatod; BBH; benhexol; ben-hex; bentox 10; benzene hexachloride-gamma-isomer; Bexol; celanex; chloresene; codechine; DBH; detmol-extrakt; detox 25; dol granule; drill tox-spezial aglukon; devoran; entomoxan; exagama; forlin; forst-nexen; gamacarbatox; gamma-COL; gammalin 20; Gammaterr; gammex; gallogama; gamacid; gamaphex; Gammahexa; gammahexane; geobilan; geolin g 3; HCC; HCCH; Novigan; Lindam ul; Lindaterra; Lindalo; Benzene hexachloride, all isomers; LINDANE (BENZENE HEXACHLOROIDE-GAMMA ISOMER); gamma-Hexachlorocyclohexane ; BHC (alpha-, beta-, gamma-); gamma-BHC (lindane). > 58-89-9 > CPDB > 290.83 > C6H6Cl6 > Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl > NP > 30.7 > 3 > 1 > 1 > 1 > 3 > 3 > ND > ND > ND > ND $$$$ 201 19 20 0 0 0 0 0 0 0 0 1 V2000 2.4834 -2.9779 0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 -3.3745 0.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 -1.3005 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1851 -0.8521 0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7044 -2.5166 0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2314 -1.6694 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9799 -3.1392 0.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9826 -1.2877 0.1939 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6738 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2124 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2602 -2.5233 0.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2229 -3.3097 0.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7325 -1.6920 0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6819 -0.7831 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4925 -2.8901 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5014 -1.1770 0.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9865 -1.3199 0.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2977 -0.0333 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9677 -2.2460 0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 M END > 201 > 4,4'-Methylenebis(N,N-Dimethylaniline) > p,p'-bis(dimethylamino)diphenylmethane; p,p'-dimethylaminodiphenylmethane; p,p'-bis(N,N-dimethylaminophenyl)methane; 4,4'-Methylene bis(N,N-dimethylaniline); 4,4'-Methylene bis(N,N-dimethylbenzenamine ); 4,4'-METHYLENEBIS(N,N'-DIMETHYLANILINE); p,p'-Tetramethyldiamindiphenylmethane; 4,4'-Tetramethyldiaminodiphenylmethane; p,p[-Tetramethyldiamindiphenylmethane; Bis[p-(dimethylamino)phenyl]methane; b is(p-(N,N-dimethylamino)phenyl)methane; methane base; Methane Base Michler's Hydride; methylene base; Methylene bis(N,N'-dimethyl)aniline, 4,4'-; Michler's Base; michler's hydride; Michler's Methane; N,N,N',N'-tetramethyl-p,p'-diaminodiphenylmethane; reduced michler's ketone; Tetra-Base; tetramethyldiaminodiphenylmethane. > 101-61-1 > NTP186 > 254.37 > C17H22N2 > CN(C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C)C > 16.4 > 207 > 3 > 1 > 3 > 3 > 2 > 3 > ND > ND > ND > ND $$$$ 202 20 22 0 0 0 0 0 0 0 0 2 V2000 0.6583 -4.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 -2.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -4.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6585 -3.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -2.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6585 -1.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9877 -3.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 -2.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9877 -1.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9752 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6462 -1.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9752 -2.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9754 -1.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 -4.6080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6462 -3.4560 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9752 -4.6080 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9754 -3.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 7 17 2 0 0 0 0 8 9 1 0 0 0 0 8 16 2 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 M CHG 2 18 1 19 -1 M END > 202 > 2-Methyl-1-nitroanthraquinone > 1-nitro-2-methylanthraquinone; 2-methyl-1-nitro-9,10-anthracenedione. > 129-15-7 > NTP29 > 267.24 > C15H9NO4 > O=C1C2=C(C(=CC=C2C(=O)C3=C1C=CC=C3)C)[N+](=O)[O-] > 84.8 > 1.56 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 203 20 21 0 0 0 0 0 0 0 0 1 V2000 2.3058 -3.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3058 -1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6115 -1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6115 -3.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4586 -1.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4586 -3.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1529 -3.9907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7644 -1.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1529 -5.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7644 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9173 -1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0575 -1.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2103 -3.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0575 -3.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2103 -1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9173 -3.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3632 -3.9907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5161 -3.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3632 -5.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 M END > 203 > Michler's Ketone > 4,4[-Bis(dimethylamino)benzophenone; 4,4'-bis(Dimethylamino)benzophenone; p,p'-bis(N,N-dimethylamino)benzophenone; p,p'-michler's ketone; 4,4'-tetramethyldiaminobenzophenone; di-p-dimethylaminophenyl ketone; bis[4-(Dimethylamino)phenyl]-methanone; bis(p-(N,N-dimethylamino)phenyl)ketone; michler ketone; MICHLERS KETONE (TETRAMETHYLDIAMINOBENZOPHENONE); Tetramethyldiaminobenzophenone. > 90-94-8 > NTP181 > 268.36 > C17H20N2O > O=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C > 5.64 > 84.1 > 3 > 3 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 204 12 13 0 0 0 0 0 0 0 0 1 V2000 3.4585 -3.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -4.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 -3.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 -2.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 -2.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 M END > 204 > 1,5-Naphthalenediamine > 1,5-Diaminonaphthalene. > 2243-62-1 > NTP143 > 158.20 > C10H10N2 > NC1=C2C(=CC=C1)C(=CC=C2)N > 69.6 > 162 > 3 > 3 > 1 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 205 14 14 0 0 0 0 0 0 0 0 2 V2000 3.3228 -1.9658 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9912 -2.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4585 -0.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4477 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6018 -0.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8194 -0.1268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8847 -0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1022 -0.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7579 -2.2321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8232 -3.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6837 -4.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3317 -3.2594 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 -3.2594 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9912 -4.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 M CHG 2 12 1 13 -1 M END > 205 > Nithiazide > 1-ethyl-3-(5-nitro-2-thiazolyl) urea; hepzide; hepzide 30; N-ethyl-N'-(5-nitro-2-thiazolyl)urea. > 139-94-6 > NTP146 > 216.21 > C6H8N4O3S > O=C(Nc1ncc(s1)[N+]([O-])=O)NCC > 131 > 758 > 3 > 3 > 1 > 3 > 3 > 2 > ND > ND > ND > ND $$$$ 206 13 12 0 0 0 0 0 0 0 0 1 V2000 1.3347 -3.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -2.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3219 -2.2986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9893 -3.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3240 -3.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9913 -2.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -4.5973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9913 -4.5973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9893 -1.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3240 -1.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5104 -1.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9913 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 M END > 206 > Nitrilotriacetic acid > alpha,alpha',alpha''-trimethylaminetricarboxylic acid; aminotriacetic acid; chel 300; hampshire nta acid; nitrilo-2,2',2''-triacetic acid; N,N-bis(carboxymethyl)glycine; NTA; Complexon I; titriplex i; tri(carboxymethyl)amine; triglycine; triglycollamic acid; Trilone A; versene nta acid. > 139-13-9 > NTP6 > 191.14 > C6H9NO6 > N(CC(=O)O)(CC(=O)O)CC(=O)O > 1760 > 2660 > 3 > 1 > 3 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 207 15 17 0 0 0 0 0 0 0 0 2 V2000 2.6280 -0.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 -0.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6052 -2.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 -3.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9772 -2.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -3.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9772 -4.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6633 -4.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6633 -2.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7019 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3254 -0.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -5.4812 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9772 -6.6200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9420 -5.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 2 2 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 M CHG 2 13 1 14 -1 M END > 207 > 5-Nitroacenaphthene > 1,2-dihydro-5-nitroacenaphthylene; 5-NAN; 5-Nitroacenaphthene, 85% (Assay); 5-nitronaphthalene ethylene; Nitroacenaphthene. > 602-87-9 > NTP118 > 199.21 > C12H9NO2 > O=[N+](C1=CC=C2C3=C1C=CC=C3CC2)[O-] > 8.67 > 45.8 > 3 > 3 > 3 > 3 > 1 > 3 > ND > ND > ND > ND $$$$ 208 16 16 0 0 0 0 0 0 0 0 2 V2000 4.5992 -3.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5992 -5.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -5.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -3.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4589 -5.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4589 -3.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4589 -2.0019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4589 -7.3233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -1.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -7.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -9.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -2.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -5.9929 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 -5.3214 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1530 -7.3233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 14 1 0 0 0 0 4 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 M CHG 2 14 1 15 -1 M END > 208 > 3'-nitro-p-acetophenetide > 3'-Nitro-p-acetophenetidide; 3'-nitro-p-acetophenetidin; 4-acetamino-2-nitrophenetole; 5'-nitro-p-acetophenetidide; N-(3-nitro-4-ethoxyphenyl)acetamide; N-(4-ethoxy-3-nitrophenyl)acetamide. > 1777-84-0 > NTP133 > 224.22 > C10H12N2O4 > C1=CC(=CC(=C1OCC)[N+]([O-])=O)NC(=O)C > NP > 2270 > 3 > 3 > 1 > 1 > 3 > 1 > ND > ND > ND > ND $$$$ 209 12 13 0 0 0 0 0 0 0 0 2 V2000 1.9890 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6605 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9907 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6605 -2.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9907 -2.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6495 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9544 -1.4316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0938 -2.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8775 -3.2939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6588 -1.1529 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 M CHG 2 10 1 11 -1 M END > 209 > 5-Nitrobenzimidazole > 5(6)-nitrobenzimidazole; 5-nitro-1H-benzimidazole; 6-Nitrobenzimidazole. > 94-52-0 > NTP117 > 163.14 > C7H5N3O2 > [O-][N+](=O)c1ccc2ncnc2c1 > NP > 372 > 3 > 3 > 1 > 1 > 3 > 3 > ND > ND > ND > ND $$$$ 210 12 12 0 0 0 0 0 0 0 0 2 V2000 3.4553 -3.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3036 -3.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4553 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6071 -1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3036 -1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6071 -3.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1518 -3.9869 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3161 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1518 -5.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7589 -1.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7589 -3.9869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7589 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 10 12 1 0 0 0 0 M CHG 2 7 1 8 -1 M END > 210 > 5-Nitro-ortho-anisidine > 2-amino-1-methoxy-4-nitrobenzene; 2-Amino-4-Nitroanisole; 2-methoxy-5-nitrobenzamine; 2-Methoxy-5-nitroaniline; 3-amino-4-methoxynitrobenzene; 3-nitro-6-methoxyaniline; 4-Nitro-2-amino-anisole; 5-nitr o-2-methoxyaniline; 5-NITRO-ortho-ANISIDINE (1-METHOXY-5-NITROANILINE; azoamine scarlet; Azoamine Scarlet K; azogene ecarlate r; azoic diazo component 13, base; C.I. 37130; C.I. azoic diazo component 13; fast scarlet r; Fast Scarlet R base. > 99-59-2 > NTP127 > 168.15 > C7H8N2O3 > O=[N+](C1=CC(=C(C=C1)OC)N)[O-] > 53.9 > 3720 > 3 > 3 > 3 > 3 > 2 > 3 > ND > ND > ND > ND $$$$ 211 11 11 0 0 0 0 0 0 0 0 2 V2000 3.4551 -3.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3034 -4.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 -2.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3034 -1.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 -3.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4551 -2.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6068 -1.9996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3034 -0.6708 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4551 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1517 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 M CHG 2 9 1 10 -1 M END > 211 > 2-nitro-1,4-phenylenediamine > 1,4-Diamino-2-nitrobenzene; 2-n-p-pda; 2-NDB; 2-nitro-1,4-Benzenediamine; 2-nitro-1,4-diaminobenzene; o-Nitro-p-phenylenediamine; 2-NPPD; 4-Amino-2-nitroaniline; C.I. 76070; C.I. oxidation base 22; du rafur brown; durafur brown 2R; Dye gs; fouramine 2R; fourrine 36; fourrine brown 2R; nitro-p-phenylenediamine; oxidation base 22; ursol brown rr; zoba brown rr. > 5307-14-2 > NTP169 > 153.14 > C6H7N3O2 > NC1=C(C=C(C=C1)N)[N+](=O)[O-] > NP > 614 > 3 > 3 > 1 > 1 > 1 > 3 > ND > ND > ND > ND $$$$ 212 15 16 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3003 -0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3003 -1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1438 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1438 -2.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4568 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6006 -0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7571 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9136 -1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7571 -2.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9136 -0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6006 -1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0574 -2.6561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0574 -3.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 14 15 2 0 0 0 0 M END > 212 > 4-Nitrosodiphenylamine > 4-Nitroso-N-Phenylbenzenamine; naugard tkb; N-Nitrosodiphenyl-2,2',4,4',6,6'-d6-amine; N-Phenyl-p-Nitrosoaniline; phenyl 4-nitrosophenyl amine; TKB. > 156-10-5 > NTP190 > 198.22 > C12H10N2O > O=Nc2ccc(Nc1ccccc1)cc2 > 201 > 340 > 3 > 3 > 3 > 1 > 3 > 1 > ND > ND > ND > ND $$$$ 213 11 11 0 0 0 0 0 0 0 0 2 V2000 3.3182 -3.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9884 -3.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9884 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3182 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3298 -2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9894 -2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3192 -2.3050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9894 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3298 -4.6100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9884 -5.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 6 7 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 M CHG 2 9 1 10 -1 M END > 213 > 5-Nitro-ortho-toluidine > 1-amino-2-methyl-5-nitrobenzene; 2-Amino-4-nitrotoluene; fast scarlet g; fast scarlet g base; fast scarlet gc base; fast scarlet j salt; fast scarlet mN4t base; fast scarlet t base; hiltonil fast scar let g salt; hiltonil fast scarlet g base; hiltonil fast scarlet gc base; kayaku scarlet g base; lake scarlet g base; lithosol orange r base; mitsui scarlet g base; naphthanil scarlet g base; naphtoela n fast scarlet g salt; naphtoelan fast scarlet g base; PNOT; scarlet base ciba ii; scarlet base irga ii; scarlet base nsp; scarlet g base; sugai fast scarlet g base; symulon scarlet g base; 2-methyl-5 -nitrobenzenamine; 2-Methyl-5-nitroaniline; 4-nitro-2-aminotoluene; 5-NITRO-ortho-TOLUIDINE (2-METHYL-5-NITROANILINE); amarthol fast scarlet g salt; amarthol fast scarlet g base; azoene fast scarlet g c salt; azoene fast scarlet gc base; azofix scarlet g salt; azogene fast scarlet g; diabase scarlet g; diazo fast scarlet g; C.I. 37105; C.I. azoic diazo component 12; C.I. Azoic Diazo Component No. 1 2; dainichi fast scarlet g base; daito scarlet base g; devol scarlet b; devol scarlet g salt; Fast Red G Base; fast red sg base; fast scarlet base g; fast scarlet base j. > 99-55-8 > NTP107 > 152.15 > C7H8N2O2 > O=[N+](C1=CC(=C(C=C1)C)N)[O-] > NP > 277 > 3 > 3 > 1 > 1 > 3 > 3 > ND > ND > ND > ND $$$$ 214 18 18 0 0 0 0 0 0 0 0 2 V2000 4.9509 -2.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1124 -1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2594 -3.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1124 -4.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2594 -2.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -3.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8039 -1.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 -2.2940 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.9891 -1.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3103 -3.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4954 -2.9618 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 -3.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3139 -4.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6533 -1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4064 -4.2831 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4064 -5.6188 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.5534 -3.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 16 1 0 0 0 0 4 6 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 M CHG 2 16 1 17 -1 M END > 214 > Parathion > O,O-diethyl-O-(p-nitrophenyl)thionophosphate; O,O-diethyl-O-p-nitrophenylthiophosphate; bayer e-605; Diethyl O-p-nitrophenyl phosphorothioate; diethyl para-nitrophenol thiophosphate; diethyl p-nitroph enyl monothiophosphate; diethyl 4-nitrophenyl phosphorothionate; diethyl p-nitrophenyl thionophosphate; diethyl p-nitrophenyl thiophosphate; diethylparathion; Bladan; bladan f; Bladen; compound 3422; corothion; corthione; danthion; deoxynucleoside 5'-triphosphate; DNTP; drexel parathion 8E; Durathion; E 605; E 605 F; e 605 forte; ecatox; ekatin wf & wf ulv; ekatox; ethlon; ethyl parathion; Etilon; Foliclal; Folidol; folidol e & e 605; folidol e605; folidol oil; fosfermo; Fosferno; Fosferno 50; fosfex; fosfive; fosova; fostern; Fostox; gearphos; genithion; kolphos; kypthion; lethalaire g-54; li rothion; murfos; Niran; nitrostygmine; niuif-100; nourithion; oleoparaphene; oleoparathion; oleofos 20; OMS 19; PAC; Pacol; panthion; parthion; penncap e; pestox plus; pethion; Phoskil; phosphemol; ph osphenol; Phosphorothioic acid O,O-diethyl-O-(4-nitrophenyl) ester; phosphostigmine; RB; rhodiasol; Rhodiatox; rhodiatrox; selephos; sixty-three special e.c.; SNP; soprathion; stathion; strathion; sul fos; super rodiatox; T-47; thiomex; Thionspray No.84; thiophos 3422; tiofos; TOX 47; vapophos; Viran; vitrex; O,O-diethyl O-p-nitrophenyl phosphorothioate; Orthophos; Paradust; Paramar; paramar 50; p- nitrophenol O-ester with O,O-diethylphosphorothioate; Paraphos; parathene; Parathion-E; Parawet; AAT; AATP; ac 3422; acc 3422; alkron; Alleron; american cyanamid 3422; Aphamite; Aqua 9-Parathion; Aral o; B 404; bay e-605. > 56-38-2 > NTP70 > 291.26 > C10H14NO5PS > S=P(OC1=CC=C(C=C1)[N+](=O)[O-])(OCC)OCC > NP > NP > 2 > 3 > 2 > 2 > 1 > 1 > ND > ND > ND > ND $$$$ 215 16 17 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6711 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6591 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0007 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0007 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6711 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9887 -1.1523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6598 -2.3046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9893 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6478 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6485 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9774 -3.4569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9774 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6478 -3.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9780 -2.3046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9893 -4.6091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 14 2 0 0 0 0 14 16 1 0 0 0 0 M END > 215 > Phenazopyridine Hydrochloride > 2,6-diamino-3-phenylazopyridine hydrochloride; 2,6-diamino-3-(phenylazo)pyridine monohydrochloride; mallophene; NC 150; nefrecil; PDP; phenazo; phenazodine; phenazopyridinium chloride; phenylazo; phen ylazo-alpha,alpha'-diaminopyridine monohydrochloride; phenylazodiaminopyridine hydrochloride; phenyl-idium; phenyl-idium 200; Pirid; pyrazodine; pyrazofen; pyredal; pyridiate; pyridivite; pyridacil; p yridene; pyridenal; pyripyridium; pyrizin; sedural; suladyne; sulodyne; thiosulfil-a forte; urazium; uridinal; uriplex; urodine; urobiotic-250; urofeen; uromide; urophenyl; uropyrine; uropyridin; utos tan; vestin; W 6155; 3-phenylazo-2,6-diaminopyridine hydrochloride; 3-(phenylazo)-2,6-pyridinediamine hydrochloride; 3-(phenylazo)-2,6-pyridinediamine monohydrochloride; azodine; azodium; azodyne; azo gantrisin; azo gastanol; azo-mandelamine; azomine; azo-standard; azo-stat; azotrex; baridium; Di-azo; diridone; bisteril; beta-phenylazo-alpha,alpha'-diaminopyridine hydrochloride; cystamine 'mcclung '; cystopyrin; cystural; eucistin; giracid; mallofeen. > 136-40-3 > NTP99 > 249.74 > C11H11N5 > N(=N/c1ccc(nc1N)N)\c2ccccc2.Cl > 303 > 71.1 > 3 > 1 > 3 > 3 > 1 > 3 > ND > ND > ND > ND $$$$ 216 44 48 0 0 1 0 0 0 0 0 1 V2000 13.1802 -6.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4397 -5.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7179 -4.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9774 -4.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2556 -2.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9020 -7.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3223 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9814 -1.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3140 -3.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9814 -3.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 -8.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3243 -6.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3307 -5.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9897 -6.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 -5.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3307 -8.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3243 -9.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0063 -9.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 -10.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3327 -10.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -10.3684 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3243 -11.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 -12.6677 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9897 -4.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3307 -3.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 -3.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9897 -2.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9730 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3140 -1.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9730 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3057 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3057 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9794 -1.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2974 -3.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9794 -3.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9710 -2.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2974 -1.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1907 -0.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4062 -0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2744 -2.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6467 -3.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8204 -3.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1844 -5.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5151 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 40 5 1 1 0 0 0 5 44 1 1 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 1 0 0 0 8 29 1 0 0 0 0 9 28 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 28 41 1 1 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 33 1 0 0 0 0 32 33 1 0 0 0 0 32 35 1 0 0 0 0 33 37 1 0 0 0 0 34 36 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 36 40 1 0 0 0 0 36 42 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 M END > 216 > Phenesterin > (3-beta)-cholest-5-en-3-ol 4-(bis(2-chloroethyl)amino)benzeneacetate; p-bis(2-chloroethyl)aminophenylacetate cholesteryl; (p-(bis(2-chloroethyl)amino)phenyl)acetic acid cholesterol ester; (4-(bis(2-ch loroethyl)amino)phenyl)acetic acid cholesteryl ester; cholest-5-en-3beta-ol 4-(bis(2-chloroethyl)amino)benzeneacetate; cholesterol (p-(bis(2-chloroethyl)amino)phenyl)acetate; fenesterin; fenestrin; ph enestrin. > 3546-10-9 > NTP60 > 644.81 > C39H59Cl2NO2 > ClCCN(c1ccc(cc1)CC(=O)O[C@@H]5C/C4=C/C[C@@H]2[C@H](CC[C@@]3([C@H](CC[C@@H]23)[C@@H](C)CCCC(C)C)C)[C@@]4(C)CC5)CCCl > 0.523 > 0.616 > 3 > 1 > 1 > 3 > 3 > 3 > ND > ND > ND > ND $$$$ 217 18 17 0 0 0 0 0 0 0 0 1 V2000 1.9950 -2.3080 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -2.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 -3.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -2.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 -0.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1555 -4.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9850 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9850 -2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -3.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3150 -2.3080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9800 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9800 -3.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 -3.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 8 1 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 M END > 217 > Phosphamidon > 1-chloro-diethylcarbamoyl-1-propen-2-yl dimethyl phosphate; O,O-dimethyl-O-(2-chloro-2-(N,N-diethylcarbamoyl)-1-methylvinyl)phosphate; 2-Chloro-2-diethylcarbamoyl-1-methylvinyl dimethyl phosphate; 2-c hloro-2-diethyl carbamyl-1-methyl vinyl dimethyl-phosphate; 2-chloro-3-(diethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate; 2-Chloro-N,N-diethyl-3-hydroxycrotonamide ester of dimethyl phosphat e; Apamidon; Dimecron; dimercron; dimethyl-2-chloro-2-diethylcarbamoyl-1-methylvinyl phosphate; dimethyl 2-chloro-3-(diethylamino)-1-methyl-3-oxo-1-propenylphosphorate; dimethyl diethylamido-1-chloroc rotonyl (2) phosphate; Dixon; C 570; crotonamide, 2-chloro-N,N-diethyl-3-hydroxy-, dimethyl phosphate; ML 97; Phosphamidon 8; Phosphamidon (mixed isomers); Phosphoric acid 2-chloro-3-(diethylamino)-1- methyl-3-oxo-1-propenyl dimethyl ester; Phosphoric acid, dimethyl ester, ester with 2-chloro-N-N-diethyl-3-hydroxycrotonamide; phosphoric acid Chloro-3-(diethylamino)-1-methyl-3-oxo-1-propenyl dimethy l ester. > 13171-21-6 > NTP16 > 299.69 > C10H19ClNO5P > O=P(OC(=C(C(=O)N(CC)CC)Cl)C)(OC)OC > NP > NP > 2 > 3 > 2 > 2 > 1 > 1 > ND > ND > ND > ND $$$$ 218 22 23 0 0 0 0 0 0 0 0 1 V2000 1.3364 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 -1.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3346 -1.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9964 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3328 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9946 -3.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3328 -4.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9964 -4.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3346 -3.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2151 -5.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4348 -5.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2921 -3.7369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3364 -2.2966 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 -3.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3364 -4.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 -5.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3364 -6.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 -8.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3364 -9.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 -10.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3364 -11.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > 218 > Piperonyl sulfoxide > 1,2-(methylenedioxy)-4-(2-(octylsulfinyl)propyl)benzene; 1-methyl-2-(3,4-methylenedioxyphenyl)ethyl octyl sulfoxide; 2-(1,3-benzodioxol-5-yl)ethyl octyl sulfoxide; 5-(2-(octylsulfinyl)propyl)-1,3-benz odioxole; alpha-methyl-3,4-(methylenedioxy)phenethyl octyl sulfoxide; isosafrole n-octylsulfoxide; iso